{"id":"https://openalex.org/W2131937031","doi":"https://doi.org/10.1002/(sici)1096-987x(19980715)19:9<1030::aid-jcc4>3.0.co;2-r","title":"Parallel pseudospectral electronic structure: II. Localized M\ufffdller-Plesset calculations","display_name":"Parallel pseudospectral electronic structure: II. Localized M\ufffdller-Plesset calculations","publication_year":1998,"publication_date":"1998-07-15","ids":{"openalex":"https://openalex.org/W2131937031","doi":"https://doi.org/10.1002/(sici)1096-987x(19980715)19:9<1030::aid-jcc4>3.0.co;2-r","mag":"2131937031"},"language":"en","primary_location":{"id":"doi:10.1002/(sici)1096-987x(19980715)19:9<1030::aid-jcc4>3.0.co;2-r","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(19980715)19:9<1030::aid-jcc4>3.0.co;2-r","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/A5043302992","display_name":"Michael D. Beachy","orcid":null},"institutions":[{"id":"https://openalex.org/I78577930","display_name":"Columbia University","ror":"https://ror.org/00hj8s172","country_code":"US","type":"education","lineage":["https://openalex.org/I78577930"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Michael D. Beachy","raw_affiliation_strings":["Department of Chemistry, and Center for Biomolecular Simulation, Columbia University, New York, New York 10027"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, and Center for Biomolecular Simulation, Columbia University, New York, New York 10027","institution_ids":["https://openalex.org/I78577930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5034367363","display_name":"David Chasman","orcid":null},"institutions":[{"id":"https://openalex.org/I78577930","display_name":"Columbia University","ror":"https://ror.org/00hj8s172","country_code":"US","type":"education","lineage":["https://openalex.org/I78577930"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"David Chasman","raw_affiliation_strings":["Department of Chemistry, and Center for Biomolecular Simulation, Columbia University, New York, New York 10027"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, and Center for Biomolecular Simulation, Columbia University, New York, New York 10027","institution_ids":["https://openalex.org/I78577930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5012437524","display_name":"Richard A. Friesner","orcid":"https://orcid.org/0000-0002-1708-9342"},"institutions":[{"id":"https://openalex.org/I78577930","display_name":"Columbia University","ror":"https://ror.org/00hj8s172","country_code":"US","type":"education","lineage":["https://openalex.org/I78577930"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Richard A. Friesner","raw_affiliation_strings":["Department of Chemistry, and Center for Biomolecular Simulation, Columbia University, New York, New York 10027"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, and Center for Biomolecular Simulation, Columbia University, New York, New York 10027","institution_ids":["https://openalex.org/I78577930"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5109967717","display_name":"Robert B. Murphy","orcid":null},"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":"Robert B. Murphy","raw_affiliation_strings":["Schro\u0308dinger, Inc., Portland, Oregon"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Schro\u0308dinger, Inc., Portland, Oregon","institution_ids":["https://openalex.org/I203455613"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5012437524"],"corresponding_institution_ids":["https://openalex.org/I78577930"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":1.8406,"has_fulltext":false,"cited_by_count":15,"citation_normalized_percentile":{"value":0.85024098,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"19","issue":"9","first_page":"1030","last_page":"1038"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9995999932289124,"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":0.9995999932289124,"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":0.9904999732971191,"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/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.9901999831199646,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"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/speedup","display_name":"Speedup","score":0.7362200617790222},{"id":"https://openalex.org/keywords/parallel-computing","display_name":"Parallel computing","score":0.6664679646492004},{"id":"https://openalex.org/keywords/scalability","display_name":"Scalability","score":0.6472831964492798},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6207275390625},{"id":"https://openalex.org/keywords/code","display_name":"Code (set theory)","score":0.5760811567306519},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.49537456035614014},{"id":"https://openalex.org/keywords/basis","display_name":"Basis (linear algebra)","score":0.48430266976356506},{"id":"https://openalex.org/keywords/range","display_name":"Range (aeronautics)","score":0.4476562440395355},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.23845267295837402},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.1830751597881317},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.10775411128997803},{"id":"https://openalex.org/keywords/geometry","display_name":"Geometry","score":0.07042625546455383}],"concepts":[{"id":"https://openalex.org/C68339613","wikidata":"https://www.wikidata.org/wiki/Q1549489","display_name":"Speedup","level":2,"score":0.7362200617790222},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.6664679646492004},{"id":"https://openalex.org/C48044578","wikidata":"https://www.wikidata.org/wiki/Q727490","display_name":"Scalability","level":2,"score":0.6472831964492798},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6207275390625},{"id":"https://openalex.org/C2776760102","wikidata":"https://www.wikidata.org/wiki/Q5139990","display_name":"Code (set theory)","level":3,"score":0.5760811567306519},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.49537456035614014},{"id":"https://openalex.org/C12426560","wikidata":"https://www.wikidata.org/wiki/Q189569","display_name":"Basis (linear algebra)","level":2,"score":0.48430266976356506},{"id":"https://openalex.org/C204323151","wikidata":"https://www.wikidata.org/wiki/Q905424","display_name":"Range (aeronautics)","level":2,"score":0.4476562440395355},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.23845267295837402},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.1830751597881317},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.10775411128997803},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.07042625546455383},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.0},{"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/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/(sici)1096-987x(19980715)19:9<1030::aid-jcc4>3.0.co;2-r","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(19980715)19:9<1030::aid-jcc4>3.0.co;2-r","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":[{"id":"https://metadata.un.org/sdg/7","score":0.4099999964237213,"display_name":"Affordable and clean energy"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":23,"referenced_works":["https://openalex.org/W1964577547","https://openalex.org/W1969625288","https://openalex.org/W1970549136","https://openalex.org/W1975244747","https://openalex.org/W1982356449","https://openalex.org/W1983809391","https://openalex.org/W1983935132","https://openalex.org/W1997785740","https://openalex.org/W2003985145","https://openalex.org/W2009581810","https://openalex.org/W2009731341","https://openalex.org/W2035177489","https://openalex.org/W2037035785","https://openalex.org/W2040496996","https://openalex.org/W2040656548","https://openalex.org/W2047179880","https://openalex.org/W2058031923","https://openalex.org/W2063636971","https://openalex.org/W2067072897","https://openalex.org/W2069006374","https://openalex.org/W2083232514","https://openalex.org/W2097170311","https://openalex.org/W2143981217"],"related_works":["https://openalex.org/W2058965144","https://openalex.org/W2164382479","https://openalex.org/W2146343568","https://openalex.org/W98480971","https://openalex.org/W2150291671","https://openalex.org/W2013643406","https://openalex.org/W2027972911","https://openalex.org/W3138386522","https://openalex.org/W2499279132","https://openalex.org/W2100349471"],"abstract_inverted_index":{"We":[0,14,36],"have":[1],"developed":[2],"a":[3,45,73],"parallel":[4,25,75,78],"version":[5],"of":[6,32,48,57,64,72,84],"our":[7],"pseudospectral":[8],"localized":[9],"M\u00f8ller\u2013Plesset":[10],"electronic":[11],"structure":[12],"code.":[13],"present":[15],"timings":[16],"for":[17,27],"molecules":[18,28,85],"up":[19],"to":[20,88],"1010":[21],"basis":[22,34],"functions":[23],"and":[24,69],"speedup":[26],"in":[29],"the":[30,39,55,58,65,77],"range":[31],"260\u2013658":[33],"functions.":[35],"demonstrate":[37],"that":[38,43],"code":[40,79],"is":[41],"scalable;":[42],"is,":[44],"larger":[46],"number":[47],"nodes":[49],"can":[50,80],"be":[51,89],"efficiently":[52],"utilized":[53],"as":[54],"size":[56],"molecule":[59],"increases.":[60],"By":[61],"taking":[62],"advantage":[63],"available":[66],"distributed":[67],"memory":[68],"disk":[70],"space":[71],"scalable":[74],"computer,":[76],"calculate":[81],"LMP2":[82],"energies":[83],"too":[86],"large":[87],"done":[90],"on":[91],"workstations.":[92],"\u00a9":[93],"1998":[94,105],"John":[95],"Wiley":[96],"&":[97],"Sons,":[98],"Inc.":[99],"J":[100],"Comput":[101],"Chem":[102],"19:":[103],"1030\u20131038,":[104]},"counts_by_year":[{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":1}],"updated_date":"2026-07-29T09:40:50.615796","created_date":"2025-10-10T00:00:00"}
