{"id":"https://openalex.org/W2022027802","doi":"https://doi.org/10.1002/(sici)1096-987x(19970415)18:5<702::aid-jcc10>3.0.co;2-e","title":"Quantum monte carlo vibrational dynamics in a property-based interaction potential scheme for weakly bound clusters","display_name":"Quantum monte carlo vibrational dynamics in a property-based interaction potential scheme for weakly bound clusters","publication_year":1997,"publication_date":"1997-04-15","ids":{"openalex":"https://openalex.org/W2022027802","doi":"https://doi.org/10.1002/(sici)1096-987x(19970415)18:5<702::aid-jcc10>3.0.co;2-e","mag":"2022027802"},"language":"en","primary_location":{"id":"doi:10.1002/(sici)1096-987x(19970415)18:5<702::aid-jcc10>3.0.co;2-e","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(19970415)18:5<702::aid-jcc10>3.0.co;2-e","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5075718702","display_name":"Clifford E. Dykstra","orcid":null},"institutions":[{"id":"https://openalex.org/I55769427","display_name":"Indiana University \u2013 Purdue University Indianapolis","ror":"https://ror.org/05gxnyn08","country_code":"US","type":"education","lineage":["https://openalex.org/I55769427","https://openalex.org/I592451"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Clifford E. Dykstra","raw_affiliation_strings":["Department of Chemistry, Indiana University-Purdue University Indianapolis, 402 North Blackford Street, Indianapolis, IN 46202","Department of Chemistry, Indiana University\u2010Purdue University Indianapolis, 402 North Blackford Street, Indianapolis, IN 46202"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Indiana University-Purdue University Indianapolis, 402 North Blackford Street, Indianapolis, IN 46202","institution_ids":["https://openalex.org/I55769427"]},{"raw_affiliation_string":"Department of Chemistry, Indiana University\u2010Purdue University Indianapolis, 402 North Blackford Street, Indianapolis, IN 46202","institution_ids":["https://openalex.org/I55769427"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5016759210","display_name":"Troy A. Van Voorhis","orcid":null},"institutions":[{"id":"https://openalex.org/I55769427","display_name":"Indiana University \u2013 Purdue University Indianapolis","ror":"https://ror.org/05gxnyn08","country_code":"US","type":"education","lineage":["https://openalex.org/I55769427","https://openalex.org/I592451"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Troy A. Van Voorhis","raw_affiliation_strings":["Department of Chemistry, Indiana University-Purdue University Indianapolis, 402 North Blackford Street, Indianapolis, IN 46202","Department of Chemistry, Indiana University\u2010Purdue University Indianapolis, 402 North Blackford Street, Indianapolis, IN 46202"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Indiana University-Purdue University Indianapolis, 402 North Blackford Street, Indianapolis, IN 46202","institution_ids":["https://openalex.org/I55769427"]},{"raw_affiliation_string":"Department of Chemistry, Indiana University\u2010Purdue University Indianapolis, 402 North Blackford Street, Indianapolis, IN 46202","institution_ids":["https://openalex.org/I55769427"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5075718702"],"corresponding_institution_ids":["https://openalex.org/I55769427"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":1.5527,"has_fulltext":false,"cited_by_count":12,"citation_normalized_percentile":{"value":0.80552844,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":94},"biblio":{"volume":"18","issue":"5","first_page":"702","last_page":"711"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9998999834060669,"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":0.9998999834060669,"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/T11965","display_name":"Quantum, superfluid, helium dynamics","score":0.9998999834060669,"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/T10413","display_name":"High-pressure geophysics and materials","score":0.9988999962806702,"subfield":{"id":"https://openalex.org/subfields/1908","display_name":"Geophysics"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/anharmonicity","display_name":"Anharmonicity","score":0.881110668182373},{"id":"https://openalex.org/keywords/diffusion-monte-carlo","display_name":"Diffusion Monte Carlo","score":0.7204681634902954},{"id":"https://openalex.org/keywords/quantum-monte-carlo","display_name":"Quantum Monte Carlo","score":0.7134421467781067},{"id":"https://openalex.org/keywords/monte-carlo-method","display_name":"Monte Carlo method","score":0.5943257212638855},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.5288774967193604},{"id":"https://openalex.org/keywords/quantum","display_name":"Quantum","score":0.5272578001022339},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.5217866897583008},{"id":"https://openalex.org/keywords/cluster","display_name":"Cluster (spacecraft)","score":0.4248822033405304},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.3190341591835022},{"id":"https://openalex.org/keywords/monte-carlo-molecular-modeling","display_name":"Monte Carlo molecular modeling","score":0.2820032835006714},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.11683392524719238},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.08693039417266846}],"concepts":[{"id":"https://openalex.org/C147724859","wikidata":"https://www.wikidata.org/wiki/Q545228","display_name":"Anharmonicity","level":2,"score":0.881110668182373},{"id":"https://openalex.org/C47833936","wikidata":"https://www.wikidata.org/wiki/Q3660888","display_name":"Diffusion Monte Carlo","level":5,"score":0.7204681634902954},{"id":"https://openalex.org/C16016025","wikidata":"https://www.wikidata.org/wiki/Q3861408","display_name":"Quantum Monte Carlo","level":3,"score":0.7134421467781067},{"id":"https://openalex.org/C19499675","wikidata":"https://www.wikidata.org/wiki/Q232207","display_name":"Monte Carlo method","level":2,"score":0.5943257212638855},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.5288774967193604},{"id":"https://openalex.org/C84114770","wikidata":"https://www.wikidata.org/wiki/Q46344","display_name":"Quantum","level":2,"score":0.5272578001022339},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.5217866897583008},{"id":"https://openalex.org/C164866538","wikidata":"https://www.wikidata.org/wiki/Q367351","display_name":"Cluster (spacecraft)","level":2,"score":0.4248822033405304},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.3190341591835022},{"id":"https://openalex.org/C37669827","wikidata":"https://www.wikidata.org/wiki/Q6904703","display_name":"Monte Carlo molecular modeling","level":4,"score":0.2820032835006714},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.11683392524719238},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.08693039417266846},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C111350023","wikidata":"https://www.wikidata.org/wiki/Q1191869","display_name":"Markov chain Monte Carlo","level":3,"score":0.0},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/(sici)1096-987x(19970415)18:5<702::aid-jcc10>3.0.co;2-e","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(19970415)18:5<702::aid-jcc10>3.0.co;2-e","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.5199999809265137,"id":"https://metadata.un.org/sdg/11","display_name":"Sustainable cities and communities"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":33,"referenced_works":["https://openalex.org/W1583065847","https://openalex.org/W1981693851","https://openalex.org/W1981880184","https://openalex.org/W1991090765","https://openalex.org/W1996322649","https://openalex.org/W1996990770","https://openalex.org/W1999145345","https://openalex.org/W2000348502","https://openalex.org/W2002912690","https://openalex.org/W2014881939","https://openalex.org/W2017524986","https://openalex.org/W2021513160","https://openalex.org/W2023206744","https://openalex.org/W2025174066","https://openalex.org/W2030335014","https://openalex.org/W2042699329","https://openalex.org/W2044597421","https://openalex.org/W2046486303","https://openalex.org/W2050247865","https://openalex.org/W2051309787","https://openalex.org/W2053982802","https://openalex.org/W2060238529","https://openalex.org/W2061620672","https://openalex.org/W2075141102","https://openalex.org/W2076163931","https://openalex.org/W2077496695","https://openalex.org/W2082277591","https://openalex.org/W2083475586","https://openalex.org/W2086459875","https://openalex.org/W2089179050","https://openalex.org/W2089431929","https://openalex.org/W2090883604","https://openalex.org/W2091839855"],"related_works":["https://openalex.org/W2282503255","https://openalex.org/W2075887426","https://openalex.org/W2085561920","https://openalex.org/W3004556504","https://openalex.org/W1533825319","https://openalex.org/W2056482001","https://openalex.org/W2792903580","https://openalex.org/W2244962646","https://openalex.org/W1888564252","https://openalex.org/W1813924256"],"abstract_inverted_index":{"The":[0,27],"typical":[1],"shallowness":[2],"of":[3,7,29,37,44,61,64,88,101,110],"the":[4,17,35,42,59,83,97,111,134],"potential":[5],"surfaces":[6],"weakly":[8,65],"bound":[9,66],"clusters":[10,67],"implies":[11],"sizable":[12],"ground-state":[13],"vibrational":[14,30,62],"excursions":[15],"in":[16,46,68],"weak":[18,38],"modes,":[19],"a":[20,47,55],"feature":[21],"often":[22],"complicated":[23],"by":[24,140],"considerable":[25],"anharmonicity.":[26],"difficulties":[28],"analysis":[31],"are":[32],"exacerbated":[33],"as":[34],"number":[36,43],"modes":[39],"increases":[40],"with":[41],"molecules":[45],"cluster.":[48],"Quantum":[49],"Monte":[50,91],"Carlo":[51,92],"(QMC)":[52],"approaches":[53],"offer":[54],"general":[56],"suitability":[57],"to":[58,133],"problem":[60],"dynamics":[63],"that":[69],"they":[70],"can":[71],"fully":[72],"account":[73],"for":[74,93],"anharmonicity":[75],"and":[76,85,96,114],"large":[77],"amplitude":[78],"motions.":[79],"We":[80],"report":[81],"on":[82],"effectiveness":[84],"convergence":[86],"behavior":[87],"diffusion":[89],"quantum":[90],"both":[94],"energies":[95],"key":[98],"spectroscopic":[99],"values":[100],"vibrationally":[102],"averaged":[103],"rotational":[104],"constants.":[105],"QMC":[106,135],"involves":[107],"recurring":[108],"evaluations":[109],"interaction":[112],"potential,":[113],"we":[115],"show":[116],"how":[117],"property-based,":[118],"two-and":[119],"three-body":[120],"potentials":[121],"(e.g.,":[122],"those":[123],"involving":[124],"intrinsic":[125],"molecular":[126],"tensor":[127],"properties)":[128],"may":[129],"be":[130],"carefully":[131],"linked":[132],"propagation":[136],"steps.":[137],"\u00a9":[138],"1997":[139],"John":[141],"Wiley":[142],"&":[143],"Sons,":[144],"Inc.":[145]},"counts_by_year":[{"year":2016,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
