{"id":"https://openalex.org/W7202408389","doi":"https://doi.org/10.1063/5.0356959","title":"A perspective on phase space electronic structure theory\u2014from its surface hopping origins to its future promise","display_name":"A perspective on phase space electronic structure theory\u2014from its surface hopping origins to its future promise","publication_year":2026,"publication_date":"2026-10-27","ids":{"openalex":"https://openalex.org/W7202408389","doi":"https://doi.org/10.1063/5.0356959"},"language":"en","primary_location":{"id":"doi:10.1063/5.0356959","doi":"https://doi.org/10.1063/5.0356959","is_oa":true,"landing_page_url":"https://doi.org/10.1063/5.0356959","pdf_url":"https://pubs.aip.org/aip/aco/article-pdf/doi/10.1063/5.0356959/21182345/040901_1_5.0356959.pdf","source":{"id":"https://openalex.org/S5407051583","display_name":"APL Computational Physics","issn_l":"3066-0017","issn":["3066-0017"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":["jufo-1"],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"APL Computational Physics","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["arxiv","crossref","datacite"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://pubs.aip.org/aip/aco/article-pdf/doi/10.1063/5.0356959/21182345/040901_1_5.0356959.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5055420458","display_name":"Joseph Eli Subotnik","orcid":"https://orcid.org/0000-0003-2170-2020","observed_orcids":["https://orcid.org/0000-0003-2170-2020"]},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Joseph E. Subotnik","raw_affiliation_strings":["Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,"],"raw_orcid":"https://orcid.org/0000-0003-2170-2020","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,","institution_ids":["https://openalex.org/I20089843"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5044774812","display_name":"Ethan C. Alguire","orcid":"https://orcid.org/0009-0000-0839-6757","observed_orcids":["https://orcid.org/0009-0000-0839-6757"]},"institutions":[{"id":"https://openalex.org/I203455613","display_name":"Schrodinger (United States)","ror":"https://ror.org/05a3z6914","country_code":"US","type":"company","lineage":["https://openalex.org/I203455613"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ethan Alguire","raw_affiliation_strings":["Schrodinger Inc. 2 , New York, New York 10036,"],"raw_orcid":"https://orcid.org/0009-0000-0839-6757","affiliations":[{"raw_affiliation_string":"Schrodinger Inc. 2 , New York, New York 10036,","institution_ids":["https://openalex.org/I203455613"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5091335667","display_name":"Nicole Bellonzi","orcid":"https://orcid.org/0000-0001-5171-9419","observed_orcids":["https://orcid.org/0000-0001-5171-9419"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Nicole Bellonzi","raw_affiliation_strings":["Apollo Quantum LLC 3 , Cambridge, Massachusetts 02142,"],"raw_orcid":"https://orcid.org/0000-0001-5171-9419","affiliations":[{"raw_affiliation_string":"Apollo Quantum LLC 3 , Cambridge, Massachusetts 02142,","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5042426870","display_name":"Xuezhi Bian","orcid":"https://orcid.org/0000-0001-6445-7462","observed_orcids":["https://orcid.org/0000-0001-6445-7462"]},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Xuezhi Bian","raw_affiliation_strings":["Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,"],"raw_orcid":"https://orcid.org/0000-0001-6445-7462","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,","institution_ids":["https://openalex.org/I20089843"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5070866115","display_name":"Mansi Bhati","orcid":"https://orcid.org/0000-0002-8029-0516","observed_orcids":["https://orcid.org/0000-0002-8029-0516"]},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Mansi Bhati","raw_affiliation_strings":["Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,"],"raw_orcid":"https://orcid.org/0000-0002-8029-0516","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,","institution_ids":["https://openalex.org/I20089843"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059682366","display_name":"Nadine C. Bradbury","orcid":"https://orcid.org/0000-0002-1214-113X","observed_orcids":["https://orcid.org/0000-0002-1214-113X"]},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Nadine Bradbury","raw_affiliation_strings":["Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,"],"raw_orcid":"https://orcid.org/0000-0002-1214-113X","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,","institution_ids":["https://openalex.org/I20089843"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5027561105","display_name":"D. Vale Cofer-Shabica","orcid":"https://orcid.org/0000-0003-4623-6521","observed_orcids":["https://orcid.org/0000-0003-4623-6521"]},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"D. Vale Cofer-Shabica","raw_affiliation_strings":["Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,"],"raw_orcid":"https://orcid.org/0000-0003-4623-6521","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,","institution_ids":["https://openalex.org/I20089843"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5147071511","display_name":"Ben Curlee","orcid":"https://orcid.org/0009-0002-2434-6412","observed_orcids":["https://orcid.org/0009-0002-2434-6412"]},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ben Curlee","raw_affiliation_strings":["Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,"],"raw_orcid":"https://orcid.org/0009-0002-2434-6412","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,","institution_ids":["https://openalex.org/I20089843"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010965372","display_name":"Titouan Duston","orcid":"https://orcid.org/0000-0002-1165-5817","observed_orcids":["https://orcid.org/0000-0002-1165-5817"]},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Titouan Duston","raw_affiliation_strings":["Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,"],"raw_orcid":"https://orcid.org/0000-0002-1165-5817","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,","institution_ids":["https://openalex.org/I20089843"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5046266384","display_name":"Shervin Fatehi","orcid":"https://orcid.org/0000-0002-9922-923X","observed_orcids":["https://orcid.org/0000-0002-9922-923X"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Shervin Fatehi","raw_affiliation_strings":["Slater Matsil LLP 4 , Dallas, Texas 75252,"],"raw_orcid":"https://orcid.org/0000-0002-9922-923X","affiliations":[{"raw_affiliation_string":"Slater Matsil LLP 4 , Dallas, Texas 75252,","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5088474151","display_name":"Gaohan Miao","orcid":"https://orcid.org/0000-0002-6377-0614","observed_orcids":["https://orcid.org/0000-0002-6377-0614"]},"institutions":[{"id":"https://openalex.org/I79576946","display_name":"University of Pennsylvania","ror":"https://ror.org/00b30xv10","country_code":"US","type":"education","lineage":["https://openalex.org/I79576946"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Gaohan Miao","raw_affiliation_strings":["Department of Chemistry, University of Pennsylvania 5 , Philadelphia, Pennsylvania 19104, USA"],"raw_orcid":"https://orcid.org/0000-0002-6377-0614","affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Pennsylvania 5 , Philadelphia, Pennsylvania 19104, USA","institution_ids":["https://openalex.org/I79576946"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5022621984","display_name":"Zheng Pei","orcid":"https://orcid.org/0000-0002-1230-4664","observed_orcids":["https://orcid.org/0000-0002-1230-4664"]},"institutions":[{"id":"https://openalex.org/I6902469","display_name":"Brandeis University","ror":"https://ror.org/05abbep66","country_code":"US","type":"education","lineage":["https://openalex.org/I6902469"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Zheng Pei","raw_affiliation_strings":["Department of Chemistry, Brandeis University 6 , Waltham, Massachusetts 02453-2728,"],"raw_orcid":"https://orcid.org/0000-0002-1230-4664","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Brandeis University 6 , Waltham, Massachusetts 02453-2728,","institution_ids":["https://openalex.org/I6902469"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5033922413","display_name":"Linqing Peng","orcid":"https://orcid.org/0000-0001-5682-2407","observed_orcids":["https://orcid.org/0000-0001-5682-2407"]},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Linqing Peng","raw_affiliation_strings":["Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,"],"raw_orcid":"https://orcid.org/0000-0001-5682-2407","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,","institution_ids":["https://openalex.org/I20089843"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5125590811","display_name":"Tian Qiu","orcid":"https://orcid.org/0000-0001-8510-894X","observed_orcids":["https://orcid.org/0000-0001-8510-894X"]},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Tian Qiu","raw_affiliation_strings":["Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,"],"raw_orcid":"https://orcid.org/0000-0001-8510-894X","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,","institution_ids":["https://openalex.org/I20089843"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5159812225","display_name":"Michael Rosen","orcid":"https://orcid.org/0009-0001-8064-5161","observed_orcids":["https://orcid.org/0009-0001-8064-5161"]},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Michael Rosen","raw_affiliation_strings":["Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,"],"raw_orcid":"https://orcid.org/0009-0001-8064-5161","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,","institution_ids":["https://openalex.org/I20089843"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037482852","display_name":"Zhen Tao","orcid":"https://orcid.org/0000-0003-0511-7665","observed_orcids":["https://orcid.org/0000-0003-0511-7665"]},"institutions":[{"id":"https://openalex.org/I17626003","display_name":"University of Rhode Island","ror":"https://ror.org/013ckk937","country_code":"US","type":"education","lineage":["https://openalex.org/I17626003"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Zhen Tao","raw_affiliation_strings":["Department of Chemistry, University of Rhode Island 7 , Kingston, Rhode Island 02881,"],"raw_orcid":"https://orcid.org/0000-0003-0511-7665","affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Rhode Island 7 , Kingston, Rhode Island 02881,","institution_ids":["https://openalex.org/I17626003"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5008614202","display_name":"Hung-Hsuan Teh","orcid":"https://orcid.org/0000-0002-6485-5767","observed_orcids":["https://orcid.org/0000-0002-6485-5767","https://orcid.org/0000-0003-0057-6555"]},"institutions":[{"id":"https://openalex.org/I4405286944","display_name":"The Institute for Solid State Physics, The University of Tokyo","ror":"https://ror.org/03mpax711","country_code":"JP","type":"facility","lineage":["https://openalex.org/I4405286944","https://openalex.org/I74801974"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Hung-Hsuan Teh","raw_affiliation_strings":["The Institute for Solid State Physics, The University of Tokyo 8 , Kashiwa, Chiba 277-8581,"],"raw_orcid":"https://orcid.org/0000-0002-6485-5767","affiliations":[{"raw_affiliation_string":"The Institute for Solid State Physics, The University of Tokyo 8 , Kashiwa, Chiba 277-8581,","institution_ids":["https://openalex.org/I4405286944"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5017288791","display_name":"Yanze Wu","orcid":"https://orcid.org/0000-0001-9140-2782","observed_orcids":["https://orcid.org/0000-0001-9140-2782","https://orcid.org/0000-0001-9181-9959"]},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Xinchun Wu","raw_affiliation_strings":["Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,"],"raw_orcid":"https://orcid.org/0000-0001-9181-9959","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,","institution_ids":["https://openalex.org/I20089843"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5017288791","display_name":"Yanze Wu","orcid":"https://orcid.org/0000-0001-9140-2782","observed_orcids":["https://orcid.org/0000-0001-9140-2782","https://orcid.org/0000-0001-9181-9959"]},"institutions":[{"id":"https://openalex.org/I111979921","display_name":"Northwestern University","ror":"https://ror.org/000e0be47","country_code":"US","type":"education","lineage":["https://openalex.org/I111979921"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Yanze Wu","raw_affiliation_strings":["Department of Chemistry, Northwestern University 9 , Evanston, Illinois 60208,"],"raw_orcid":"https://orcid.org/0000-0001-9140-2782","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Northwestern University 9 , Evanston, Illinois 60208,","institution_ids":["https://openalex.org/I111979921"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5123719294","display_name":"Zain Zaidi","orcid":"https://orcid.org/0000-0002-9225-8409","observed_orcids":["https://orcid.org/0000-0002-9225-8409"]},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Zain Zaidi","raw_affiliation_strings":["Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,"],"raw_orcid":"https://orcid.org/0000-0002-9225-8409","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Princeton University 1 , Princeton, New Jersey 08544,","institution_ids":["https://openalex.org/I20089843"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004651618","display_name":"Yihan Shao","orcid":"https://orcid.org/0000-0001-9337-341X","observed_orcids":["https://orcid.org/0000-0001-9337-341X"]},"institutions":[{"id":"https://openalex.org/I6902469","display_name":"Brandeis University","ror":"https://ror.org/05abbep66","country_code":"US","type":"education","lineage":["https://openalex.org/I6902469"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Yihan Shao","raw_affiliation_strings":["Department of Chemistry, Brandeis University 6 , Waltham, Massachusetts 02453-2728,"],"raw_orcid":"https://orcid.org/0000-0001-9337-341X","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Brandeis University 6 , Waltham, Massachusetts 02453-2728,","institution_ids":["https://openalex.org/I6902469"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5077320505","display_name":"Jonathan Rawlinson","orcid":"https://orcid.org/0000-0001-9681-3775","observed_orcids":["https://orcid.org/0000-0001-9681-3775","https://orcid.org/0000-0003-2668-2882"]},"institutions":[{"id":"https://openalex.org/I52590639","display_name":"Nottingham Trent University","ror":"https://ror.org/04xyxjd90","country_code":"GB","type":"education","lineage":["https://openalex.org/I52590639"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Jonathan Rawlinson","raw_affiliation_strings":["Department of Mathematics, Nottingham Trent University 10 , Nottingham NG1 4FQ,"],"raw_orcid":"https://orcid.org/0000-0001-9681-3775","affiliations":[{"raw_affiliation_string":"Department of Mathematics, Nottingham Trent University 10 , Nottingham NG1 4FQ,","institution_ids":["https://openalex.org/I52590639"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5159755191","display_name":"Neil Shenvi","orcid":"https://orcid.org/0009-0005-4256-1628","observed_orcids":["https://orcid.org/0009-0005-4256-1628"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Neil Shenvi","raw_affiliation_strings":["The South Durham School of Science and Math 11 , Durham, North Carolina 27713,"],"raw_orcid":"https://orcid.org/0009-0005-4256-1628","affiliations":[{"raw_affiliation_string":"The South Durham School of Science and Math 11 , Durham, North Carolina 27713,","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5072430503","display_name":"Robert G. Littlejohn","orcid":"https://orcid.org/0000-0002-4438-0952","observed_orcids":["https://orcid.org/0000-0002-4438-0952"]},"institutions":[{"id":"https://openalex.org/I95457486","display_name":"University of California, Berkeley","ror":"https://ror.org/01an7q238","country_code":"US","type":"education","lineage":["https://openalex.org/I95457486"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Robert Littlejohn","raw_affiliation_strings":["Department of Physics, University of California 12 , Berkeley, California 94720,"],"raw_orcid":"https://orcid.org/0000-0002-4438-0952","affiliations":[{"raw_affiliation_string":"Department of Physics, University of California 12 , Berkeley, California 94720,","institution_ids":["https://openalex.org/I95457486"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":9,"corresponding_author_ids":["https://openalex.org/A5055420458"],"corresponding_institution_ids":["https://openalex.org/I20089843"],"apc_list":null,"apc_paid":null,"fwci":1.3112,"has_fulltext":true,"cited_by_count":1,"citation_normalized_percentile":{"value":0.84861201,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":95},"biblio":{"volume":"2","issue":"4","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9208999872207642,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9208999872207642,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.039000000804662704,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.01080000028014183,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/noninertial-frames","display_name":"non-inertial frames","score":0.7960000038146973},{"id":"https://openalex.org/keywords/spin-dynamics","display_name":"spin dynamics","score":0.492000013589859},{"id":"https://openalex.org/keywords/born-oppenheimer-approximation","display_name":"Born-Oppenheimer approximation","score":0.7149999737739563}],"concepts":[{"id":"https://openalex.org/C132010649","wikidata":"https://www.wikidata.org/wiki/Q189222","display_name":"Intuition","level":2,"score":0.5005999803543091},{"id":"https://openalex.org/C33332235","wikidata":"https://www.wikidata.org/wiki/Q18362","display_name":"Theoretical physics","level":1,"score":0.4812999963760376},{"id":"https://openalex.org/C12713177","wikidata":"https://www.wikidata.org/wiki/Q1900281","display_name":"Perspective (graphical)","level":2,"score":0.46059998869895935},{"id":"https://openalex.org/C151342819","wikidata":"https://www.wikidata.org/wiki/Q62542","display_name":"Phase space","level":2,"score":0.447299987077713},{"id":"https://openalex.org/C2778572836","wikidata":"https://www.wikidata.org/wiki/Q380933","display_name":"Space (punctuation)","level":2,"score":0.4456999897956848},{"id":"https://openalex.org/C2780242237","wikidata":"https://www.wikidata.org/wiki/Q17155550","display_name":"Surface hopping","level":3,"score":0.43540000915527344},{"id":"https://openalex.org/C86025842","wikidata":"https://www.wikidata.org/wiki/Q5358432","display_name":"Electronic structure","level":2,"score":0.42800000309944153},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.39750000834465027},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.37459999322891235},{"id":"https://openalex.org/C112313634","wikidata":"https://www.wikidata.org/wiki/Q7886648","display_name":"Complement (music)","level":5,"score":0.3693000078201294},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.36230000853538513},{"id":"https://openalex.org/C44280652","wikidata":"https://www.wikidata.org/wiki/Q104837","display_name":"Phase (matter)","level":2,"score":0.3248000144958496},{"id":"https://openalex.org/C63036615","wikidata":"https://www.wikidata.org/wiki/Q165498","display_name":"Schr\u00f6dinger equation","level":2,"score":0.32350000739097595},{"id":"https://openalex.org/C75291252","wikidata":"https://www.wikidata.org/wiki/Q1315756","display_name":"TRACE (psycholinguistics)","level":2,"score":0.3203999996185303},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.2858000099658966},{"id":"https://openalex.org/C2983266536","wikidata":"https://www.wikidata.org/wiki/Q3509543","display_name":"Electronic systems","level":2,"score":0.2822999954223633},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.2800000011920929},{"id":"https://openalex.org/C539667460","wikidata":"https://www.wikidata.org/wiki/Q2414942","display_name":"Management science","level":1,"score":0.27570000290870667},{"id":"https://openalex.org/C2776799497","wikidata":"https://www.wikidata.org/wiki/Q484298","display_name":"Surface (topology)","level":2,"score":0.26269999146461487},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.25859999656677246}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1063/5.0356959","doi":"https://doi.org/10.1063/5.0356959","is_oa":true,"landing_page_url":"https://doi.org/10.1063/5.0356959","pdf_url":"https://pubs.aip.org/aip/aco/article-pdf/doi/10.1063/5.0356959/21182345/040901_1_5.0356959.pdf","source":{"id":"https://openalex.org/S5407051583","display_name":"APL Computational Physics","issn_l":"3066-0017","issn":["3066-0017"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":["jufo-1"],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"APL Computational Physics","raw_type":"journal-article"},{"id":"pmh:oai:arXiv.org:2608.11448","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2608.11448","pdf_url":"https://arxiv.org/pdf/2608.11448","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},{"id":"doi:10.48550/arxiv.2608.11448","doi":"https://doi.org/10.48550/arxiv.2608.11448","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2608.11448","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Preprint"}],"best_oa_location":{"id":"doi:10.1063/5.0356959","doi":"https://doi.org/10.1063/5.0356959","is_oa":true,"landing_page_url":"https://doi.org/10.1063/5.0356959","pdf_url":"https://pubs.aip.org/aip/aco/article-pdf/doi/10.1063/5.0356959/21182345/040901_1_5.0356959.pdf","source":{"id":"https://openalex.org/S5407051583","display_name":"APL Computational Physics","issn_l":"3066-0017","issn":["3066-0017"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":["jufo-1"],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"APL Computational Physics","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G106028609","display_name":null,"funder_award_id":"FA9550-23-1-0368","funder_id":"https://openalex.org/F4320338279","funder_display_name":"Air Force Office of Scientific Research"},{"id":"https://openalex.org/G1523888516","display_name":null,"funder_award_id":"FA9550-","funder_id":"https://openalex.org/F4320338279","funder_display_name":"Air Force Office of Scientific Research"},{"id":"https://openalex.org/G2922833186","display_name":null,"funder_award_id":"2422858","funder_id":"https://openalex.org/F4320337393","funder_display_name":"Division of Chemistry"},{"id":"https://openalex.org/G30737101","display_name":null,"funder_award_id":"CHE-2422858","funder_id":"https://openalex.org/F4320337393","funder_display_name":"Division of Chemistry"},{"id":"https://openalex.org/G5376952727","display_name":"Angular Momentum Conservation, Spin, and Nonadiabatic Dynamics","funder_award_id":"2422858","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G7090116110","display_name":null,"funder_award_id":"FA9550","funder_id":"https://openalex.org/F4320332467","funder_display_name":"U.S. Air Force"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320332467","display_name":"U.S. Air Force","ror":"https://ror.org/006gmme17"},{"id":"https://openalex.org/F4320337393","display_name":"Division of Chemistry","ror":"https://ror.org/01ar8dr59"},{"id":"https://openalex.org/F4320338279","display_name":"Air Force Office of Scientific Research","ror":"https://ror.org/011e9bt93"},{"id":"https://openalex.org/F6966262553","display_name":"Office of the Chief Information Officer, National Science Foundation","ror":null}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7202408389.pdf","grobid_xml":"https://content.openalex.org/works/W7202408389.grobid-xml"},"referenced_works_count":113,"referenced_works":["https://openalex.org/W1964657275","https://openalex.org/W1969722341","https://openalex.org/W1974207566","https://openalex.org/W1976768820","https://openalex.org/W1977046005","https://openalex.org/W1977367130","https://openalex.org/W1985089273","https://openalex.org/W1985583109","https://openalex.org/W1991256792","https://openalex.org/W1995750358","https://openalex.org/W1995995406","https://openalex.org/W1999719036","https://openalex.org/W2001270915","https://openalex.org/W2004438530","https://openalex.org/W2007638331","https://openalex.org/W2013359827","https://openalex.org/W2016982784","https://openalex.org/W2024487663","https://openalex.org/W2025504048","https://openalex.org/W2026172453","https://openalex.org/W2027640782","https://openalex.org/W2029016329","https://openalex.org/W2029167881","https://openalex.org/W2031122132","https://openalex.org/W2032876366","https://openalex.org/W2034748463","https://openalex.org/W2038225137","https://openalex.org/W2040695759","https://openalex.org/W2052161683","https://openalex.org/W2056135312","https://openalex.org/W2062634687","https://openalex.org/W2066556212","https://openalex.org/W2068920655","https://openalex.org/W2070217548","https://openalex.org/W2070480471","https://openalex.org/W2071955309","https://openalex.org/W2073905305","https://openalex.org/W2076188882","https://openalex.org/W2076784483","https://openalex.org/W2077615489","https://openalex.org/W2077863786","https://openalex.org/W2078294955","https://openalex.org/W2079919007","https://openalex.org/W2081604033","https://openalex.org/W2082691482","https://openalex.org/W2082999983","https://openalex.org/W2083318404","https://openalex.org/W2083319703","https://openalex.org/W2090541006","https://openalex.org/W2092363784","https://openalex.org/W2097780038","https://openalex.org/W2123393632","https://openalex.org/W2127590169","https://openalex.org/W2151752974","https://openalex.org/W2154144173","https://openalex.org/W2214998308","https://openalex.org/W2263936791","https://openalex.org/W2297346025","https://openalex.org/W2320798145","https://openalex.org/W2332668224","https://openalex.org/W2341975047","https://openalex.org/W2368171227","https://openalex.org/W2401045314","https://openalex.org/W2402350906","https://openalex.org/W2527976848","https://openalex.org/W2738649499","https://openalex.org/W2748306984","https://openalex.org/W2783740724","https://openalex.org/W2800685835","https://openalex.org/W2912509647","https://openalex.org/W2968791793","https://openalex.org/W3131959484","https://openalex.org/W3139413683","https://openalex.org/W3157324352","https://openalex.org/W3167612239","https://openalex.org/W3184677426","https://openalex.org/W3215728730","https://openalex.org/W4221100061","https://openalex.org/W4221140667","https://openalex.org/W4221157391","https://openalex.org/W4283775374","https://openalex.org/W4303415573","https://openalex.org/W4307284966","https://openalex.org/W4321071318","https://openalex.org/W4386878809","https://openalex.org/W4390049262","https://openalex.org/W4390741108","https://openalex.org/W4391521497","https://openalex.org/W4391885773","https://openalex.org/W4392954679","https://openalex.org/W4393156878","https://openalex.org/W4393157564","https://openalex.org/W4402190724","https://openalex.org/W4404720983","https://openalex.org/W4405658320","https://openalex.org/W4408359608","https://openalex.org/W4409435915","https://openalex.org/W4410301543","https://openalex.org/W4410301583","https://openalex.org/W4413477352","https://openalex.org/W4414540795","https://openalex.org/W4415186434","https://openalex.org/W4416048541","https://openalex.org/W7119522694","https://openalex.org/W7133200829","https://openalex.org/W7136238936","https://openalex.org/W7143318818","https://openalex.org/W7147509800","https://openalex.org/W7161583450","https://openalex.org/W7162512426","https://openalex.org/W7163645034","https://openalex.org/W7213182334","https://openalex.org/W7214609204"],"related_works":["https://openalex.org/W4405658320","https://openalex.org/W4403883378","https://openalex.org/W7135335064","https://openalex.org/W7213182334","https://openalex.org/W7162512426","https://openalex.org/W7221763470","https://openalex.org/W7125566943","https://openalex.org/W4283775374","https://openalex.org/W3105205646","https://openalex.org/W4410301543"],"abstract_inverted_index":{"We":[0,115],"trace":[1],"the":[2,49,79,83,88,120,152],"history":[3],"of":[4,39,52,119],"phase":[5,53],"space":[6,54],"electronic":[7,33,55],"structure":[8,34,56],"theory":[9,35],"(PSEST),":[10],"highlighting":[11],"how":[12],"this":[13,125,136],"powerful":[14],"approach":[15],"emerged":[16],"from":[17],"fundamental":[18],"questions":[19,123],"in":[20,91,124,135,157],"semiclassical":[21],"surface":[22],"hopping":[23],"dynamics":[24],"and":[25,58,95,144],"evolved":[26],"into":[27],"an":[28],"alternative":[29],"to":[30,47,65,72,78,147],"standard":[31],"Born\u2013Oppenheimer-based":[32],"(with":[36,111],"moving":[37],"instead":[38],"frozen":[40],"nuclei).":[41],"Our":[42],"goal":[43,70],"herein":[44],"is":[45,71,100,145],"not":[46],"recapitulate":[48],"mathematical":[50],"details":[51],"calculations,":[57],"few":[59],"equations":[60,143],"are":[61],"presented":[62],"so":[63],"as":[64],"maximize":[66],"readability.":[67],"Instead,":[68],"our":[69],"provide":[73],"intuition":[74],"for":[75],"those":[76],"new":[77,133],"field\u2014both":[80],"(i)":[81],"regarding":[82,97],"physics":[84],"present":[85],"when":[86],"solving":[87],"Schr\u00f6dinger":[89],"equation":[90],"a":[92,101],"non-inertial":[93],"frame":[94],"(ii)":[96],"why":[98],"PSEST":[99],"necessary":[102],"step":[103],"forward":[104],"toward":[105],"understanding":[106],"chemical":[107],"problems":[108],"involving":[109],"spin":[110],"limited":[112],"practical":[113],"alternatives).":[114],"further":[116],"highlight":[117],"some":[118],"many":[121,142],"open":[122],"fast":[126],"developing":[127],"area,":[128],"which":[129],"will":[130],"hopefully":[131],"inspire":[132],"practitioners":[134],"field.":[137],"This":[138],"intuitive":[139],"perspective":[140],"lacks":[141],"meant":[146],"complement":[148],"(rather":[149],"than":[150],"replace)":[151],"more":[153],"technical":[154],"review":[155],"given":[156],"Bian":[158],"et":[159],"al.":[160],"[Chem.":[161],"Phys.":[162],"Rev.":[163],"7,":[164],"011303":[165],"(2026)].":[166]},"counts_by_year":[{"year":2026,"cited_by_count":1}],"updated_date":"2026-11-08T12:12:28.789561","created_date":"2026-08-14T00:00:00"}
