{"id":"https://openalex.org/W2021530517","doi":"https://doi.org/10.1002/(sici)1096-987x(19990115)20:1<155::aid-jcc14>3.0.co;2-2","title":"Local-scaling transformation version of density functional theory: Application to atoms and diatomic molecules","display_name":"Local-scaling transformation version of density functional theory: Application to atoms and diatomic molecules","publication_year":1999,"publication_date":"1999-01-15","ids":{"openalex":"https://openalex.org/W2021530517","doi":"https://doi.org/10.1002/(sici)1096-987x(19990115)20:1<155::aid-jcc14>3.0.co;2-2","mag":"2021530517"},"language":"en","primary_location":{"id":"doi:10.1002/(sici)1096-987x(19990115)20:1<155::aid-jcc14>3.0.co;2-2","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(19990115)20:1<155::aid-jcc14>3.0.co;2-2","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/A5109939286","display_name":"Eduardo V. Lude\ufffda","orcid":null},"institutions":[{"id":"https://openalex.org/I191242182","display_name":"Instituto Venezolano de Investigaciones Cient\u00edficas","ror":"https://ror.org/02ntheh91","country_code":"VE","type":"facility","lineage":["https://openalex.org/I191242182"]}],"countries":["VE"],"is_corresponding":true,"raw_author_name":"E. V. Lude\ufffda","raw_affiliation_strings":["Centro de Qu\u00eemica, Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 21827, Caracas 1020\u2010A, Venezuela"],"affiliations":[{"raw_affiliation_string":"Centro de Qu\u00eemica, Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 21827, Caracas 1020\u2010A, Venezuela","institution_ids":["https://openalex.org/I191242182"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074057173","display_name":"Valentin V. Karasiev","orcid":"https://orcid.org/0000-0003-3445-6797"},"institutions":[{"id":"https://openalex.org/I191242182","display_name":"Instituto Venezolano de Investigaciones Cient\u00edficas","ror":"https://ror.org/02ntheh91","country_code":"VE","type":"facility","lineage":["https://openalex.org/I191242182"]}],"countries":["VE"],"is_corresponding":false,"raw_author_name":"V. Karasiev","raw_affiliation_strings":["Centro de Qui\u0301mica, Instituto Venezolano de Investigaciones Cienti\u0301ficas, IVIC, Apartado 21827, Caracas 1020-A, Venezuela","Centro de Qu\u00eemica, Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 21827, Caracas 1020\u2010A, Venezuela"],"affiliations":[{"raw_affiliation_string":"Centro de Qui\u0301mica, Instituto Venezolano de Investigaciones Cienti\u0301ficas, IVIC, Apartado 21827, Caracas 1020-A, Venezuela","institution_ids":["https://openalex.org/I191242182"]},{"raw_affiliation_string":"Centro de Qu\u00eemica, Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 21827, Caracas 1020\u2010A, Venezuela","institution_ids":["https://openalex.org/I191242182"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5096919152","display_name":"R. L\ufffdpez-Boada","orcid":null},"institutions":[{"id":"https://openalex.org/I191242182","display_name":"Instituto Venezolano de Investigaciones Cient\u00edficas","ror":"https://ror.org/02ntheh91","country_code":"VE","type":"facility","lineage":["https://openalex.org/I191242182"]}],"countries":["VE"],"is_corresponding":false,"raw_author_name":"R. L\ufffdpez-Boada","raw_affiliation_strings":["Centro de Qu\u00eemica, Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 21827, Caracas 1020\u2010A, Venezuela"],"affiliations":[{"raw_affiliation_string":"Centro de Qu\u00eemica, Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 21827, Caracas 1020\u2010A, Venezuela","institution_ids":["https://openalex.org/I191242182"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5072230414","display_name":"E. Valderrama","orcid":null},"institutions":[{"id":"https://openalex.org/I191242182","display_name":"Instituto Venezolano de Investigaciones Cient\u00edficas","ror":"https://ror.org/02ntheh91","country_code":"VE","type":"facility","lineage":["https://openalex.org/I191242182"]}],"countries":["VE"],"is_corresponding":false,"raw_author_name":"E. Valderrama","raw_affiliation_strings":["Centro de Qui\u0301mica, Instituto Venezolano de Investigaciones Cienti\u0301ficas, IVIC, Apartado 21827, Caracas 1020-A, Venezuela","Centro de Qu\u00eemica, Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 21827, Caracas 1020\u2010A, Venezuela"],"affiliations":[{"raw_affiliation_string":"Centro de Qui\u0301mica, Instituto Venezolano de Investigaciones Cienti\u0301ficas, IVIC, Apartado 21827, Caracas 1020-A, Venezuela","institution_ids":["https://openalex.org/I191242182"]},{"raw_affiliation_string":"Centro de Qu\u00eemica, Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 21827, Caracas 1020\u2010A, Venezuela","institution_ids":["https://openalex.org/I191242182"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5034671068","display_name":"Jorge Maldonado","orcid":null},"institutions":[{"id":"https://openalex.org/I191242182","display_name":"Instituto Venezolano de Investigaciones Cient\u00edficas","ror":"https://ror.org/02ntheh91","country_code":"VE","type":"facility","lineage":["https://openalex.org/I191242182"]}],"countries":["VE"],"is_corresponding":false,"raw_author_name":"J. Maldonado","raw_affiliation_strings":["Centro de Qui\u0301mica, Instituto Venezolano de Investigaciones Cienti\u0301ficas, IVIC, Apartado 21827, Caracas 1020-A, Venezuela","Centro de Qu\u00eemica, Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 21827, Caracas 1020\u2010A, Venezuela"],"affiliations":[{"raw_affiliation_string":"Centro de Qui\u0301mica, Instituto Venezolano de Investigaciones Cienti\u0301ficas, IVIC, Apartado 21827, Caracas 1020-A, Venezuela","institution_ids":["https://openalex.org/I191242182"]},{"raw_affiliation_string":"Centro de Qu\u00eemica, Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 21827, Caracas 1020\u2010A, Venezuela","institution_ids":["https://openalex.org/I191242182"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5109939286"],"corresponding_institution_ids":["https://openalex.org/I191242182"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":1.8574,"has_fulltext":false,"cited_by_count":27,"citation_normalized_percentile":{"value":0.84507425,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":95},"biblio":{"volume":"20","issue":"1","first_page":"155","last_page":"183"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9991999864578247,"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":0.9991999864578247,"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/T12358","display_name":"Thermal and Kinetic Analysis","score":0.9983000159263611,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12852","display_name":"Chemical Thermodynamics and Molecular Structure","score":0.9983000159263611,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic 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/diatomic-molecule","display_name":"Diatomic molecule","score":0.7508229613304138},{"id":"https://openalex.org/keywords/atomic-orbital","display_name":"Atomic orbital","score":0.6130008101463318},{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"Density functional theory","score":0.5577161312103271},{"id":"https://openalex.org/keywords/wave-function","display_name":"Wave function","score":0.5543394684791565},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.4641469717025757},{"id":"https://openalex.org/keywords/atom","display_name":"Atom (system on chip)","score":0.4594247341156006},{"id":"https://openalex.org/keywords/hybrid-functional","display_name":"Hybrid functional","score":0.443997323513031},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.4357687830924988},{"id":"https://openalex.org/keywords/orbital-free-density-functional-theory","display_name":"Orbital-free density functional theory","score":0.42887941002845764},{"id":"https://openalex.org/keywords/electronic-correlation","display_name":"Electronic correlation","score":0.42878082394599915},{"id":"https://openalex.org/keywords/range","display_name":"Range (aeronautics)","score":0.4202271103858948},{"id":"https://openalex.org/keywords/atomic-physics","display_name":"Atomic physics","score":0.4186105728149414},{"id":"https://openalex.org/keywords/hartree\u2013fock-method","display_name":"Hartree\u2013Fock method","score":0.4159417450428009},{"id":"https://openalex.org/keywords/coupled-cluster","display_name":"Coupled cluster","score":0.4148208200931549},{"id":"https://openalex.org/keywords/kinetic-energy","display_name":"Kinetic energy","score":0.41462868452072144},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.38538438081741333},{"id":"https://openalex.org/keywords/electron","display_name":"Electron","score":0.3125830888748169},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.22025185823440552},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.09986722469329834}],"concepts":[{"id":"https://openalex.org/C111806078","wikidata":"https://www.wikidata.org/wiki/Q1751859","display_name":"Diatomic molecule","level":3,"score":0.7508229613304138},{"id":"https://openalex.org/C189394030","wikidata":"https://www.wikidata.org/wiki/Q53860","display_name":"Atomic orbital","level":3,"score":0.6130008101463318},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.5577161312103271},{"id":"https://openalex.org/C113603373","wikidata":"https://www.wikidata.org/wiki/Q2362761","display_name":"Wave function","level":2,"score":0.5543394684791565},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.4641469717025757},{"id":"https://openalex.org/C58312451","wikidata":"https://www.wikidata.org/wiki/Q4817200","display_name":"Atom (system on chip)","level":2,"score":0.4594247341156006},{"id":"https://openalex.org/C22693506","wikidata":"https://www.wikidata.org/wiki/Q3075290","display_name":"Hybrid functional","level":3,"score":0.443997323513031},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.4357687830924988},{"id":"https://openalex.org/C104970782","wikidata":"https://www.wikidata.org/wiki/Q7100054","display_name":"Orbital-free density functional theory","level":4,"score":0.42887941002845764},{"id":"https://openalex.org/C35052450","wikidata":"https://www.wikidata.org/wiki/Q2733663","display_name":"Electronic correlation","level":3,"score":0.42878082394599915},{"id":"https://openalex.org/C204323151","wikidata":"https://www.wikidata.org/wiki/Q905424","display_name":"Range (aeronautics)","level":2,"score":0.4202271103858948},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.4186105728149414},{"id":"https://openalex.org/C113630233","wikidata":"https://www.wikidata.org/wiki/Q7879841","display_name":"Hartree\u2013Fock method","level":2,"score":0.4159417450428009},{"id":"https://openalex.org/C19637589","wikidata":"https://www.wikidata.org/wiki/Q1117940","display_name":"Coupled cluster","level":3,"score":0.4148208200931549},{"id":"https://openalex.org/C135889238","wikidata":"https://www.wikidata.org/wiki/Q46276","display_name":"Kinetic energy","level":2,"score":0.41462868452072144},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.38538438081741333},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.3125830888748169},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.22025185823440552},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.09986722469329834},{"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/C149635348","wikidata":"https://www.wikidata.org/wiki/Q193040","display_name":"Embedded system","level":1,"score":0.0},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/(sici)1096-987x(19990115)20:1<155::aid-jcc14>3.0.co;2-2","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(19990115)20:1<155::aid-jcc14>3.0.co;2-2","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","display_name":"Affordable and clean energy","score":0.8899999856948853}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":95,"referenced_works":["https://openalex.org/W17665171","https://openalex.org/W52486769","https://openalex.org/W63822692","https://openalex.org/W78737443","https://openalex.org/W135918542","https://openalex.org/W577312108","https://openalex.org/W598442978","https://openalex.org/W623435971","https://openalex.org/W632576184","https://openalex.org/W1504537399","https://openalex.org/W1550061415","https://openalex.org/W1600920748","https://openalex.org/W1963564050","https://openalex.org/W1964130632","https://openalex.org/W1967664786","https://openalex.org/W1969107632","https://openalex.org/W1969193218","https://openalex.org/W1970035075","https://openalex.org/W1971671866","https://openalex.org/W1974926555","https://openalex.org/W1978127562","https://openalex.org/W1979061609","https://openalex.org/W1980800039","https://openalex.org/W1981079715","https://openalex.org/W1984829914","https://openalex.org/W1985583109","https://openalex.org/W1986803760","https://openalex.org/W1987391364","https://openalex.org/W1991898915","https://openalex.org/W1994484823","https://openalex.org/W1995163199","https://openalex.org/W1995788919","https://openalex.org/W1996094170","https://openalex.org/W1997709177","https://openalex.org/W2001324357","https://openalex.org/W2003269468","https://openalex.org/W2003803022","https://openalex.org/W2006221867","https://openalex.org/W2013481122","https://openalex.org/W2013817418","https://openalex.org/W2016576446","https://openalex.org/W2017018499","https://openalex.org/W2017504957","https://openalex.org/W2018395756","https://openalex.org/W2018541907","https://openalex.org/W2018983765","https://openalex.org/W2021915557","https://openalex.org/W2031201184","https://openalex.org/W2033086110","https://openalex.org/W2034347685","https://openalex.org/W2036014518","https://openalex.org/W2037292714","https://openalex.org/W2037330941","https://openalex.org/W2041225381","https://openalex.org/W2041482479","https://openalex.org/W2052725550","https://openalex.org/W2057145600","https://openalex.org/W2058661037","https://openalex.org/W2060327398","https://openalex.org/W2060483598","https://openalex.org/W2064183033","https://openalex.org/W2066733840","https://openalex.org/W2067184444","https://openalex.org/W2069399316","https://openalex.org/W2069681015","https://openalex.org/W2072782129","https://openalex.org/W2073053266","https://openalex.org/W2074149539","https://openalex.org/W2075008222","https://openalex.org/W2081989074","https://openalex.org/W2082341583","https://openalex.org/W2083051167","https://openalex.org/W2085937910","https://openalex.org/W2087281058","https://openalex.org/W2088659212","https://openalex.org/W2097206279","https://openalex.org/W2103454124","https://openalex.org/W2105301199","https://openalex.org/W2110157772","https://openalex.org/W2125364860","https://openalex.org/W2152093037","https://openalex.org/W2156561512","https://openalex.org/W2162155934","https://openalex.org/W2312930494","https://openalex.org/W2327137677","https://openalex.org/W2331727781","https://openalex.org/W2564888318","https://openalex.org/W2911730856","https://openalex.org/W2998313242","https://openalex.org/W4206685932","https://openalex.org/W4230870696","https://openalex.org/W4250568037","https://openalex.org/W4285719527","https://openalex.org/W4289548376","https://openalex.org/W4300816443"],"related_works":["https://openalex.org/W2013110429","https://openalex.org/W2029570487","https://openalex.org/W2080942482","https://openalex.org/W73902440","https://openalex.org/W1537008863","https://openalex.org/W2025208242","https://openalex.org/W4286979342","https://openalex.org/W2092133325","https://openalex.org/W2733294612","https://openalex.org/W2019509252"],"abstract_inverted_index":{"Applications":[0,205],"of":[1,6,21,52,67,82,86,92,107,123,177,187,192,200,206,241,265,279,289,293],"the":[2,19,34,45,50,65,72,76,83,87,97,105,108,121,137,142,155,175,179,185,190,227,231,234,239,242,258,277],"local-scaling":[3],"transformation":[4],"version":[5],"density":[7,60,198,208,248,284,296],"functional":[8,285],"theory,":[9],"LS-DFT,":[10],"to":[11,44,49,210,256,267,298],"atoms":[12,32,125],"and":[13,25,30,54,79,115,126,162,221,233,271,292],"diatomic":[14,188],"molecules":[15],"are":[16,37,100,218,273],"presented.":[17,101],"In":[18,102,184,275],"case":[20,122,186],"atoms,":[22],"explicit":[23,68],"kinetic-":[24],"exchange-energy":[26],"functionals":[27,70,291],"for":[28,75,120,174,197],"first-":[29],"second-row":[31],"at":[33,245],"Hartree\u2013Fock":[35,73,98,247],"level":[36],"constructed.":[38],"The":[39],"emphasis":[40],"given":[41],"in":[42,58,141],"LS-DFT":[43,93,266],"symmetry":[46],"problem,":[47],"namely,":[48],"inclusion":[51],"spin":[53],"angular":[55],"momentum":[56],"restrictions":[57],"energy":[59,69,111,145,157,244,283],"functionals,":[61],"is":[62,118,129,158,172,203,224,249,254,300],"illustrated":[63],"by":[64],"construction":[66],"(at":[71],"level)":[74],"1S,":[77],"3P":[78],"1D":[80],"terms":[81],"1s22s22p2":[84],"configuration":[85],"carbon":[88],"atom.":[89],"Also,":[90,238],"applications":[91],"that":[94,131],"go":[95],"beyond":[96],"method":[99,166],"this":[103,152,252],"respect,":[104],"decomposition":[106],"electron":[109],"correlation":[110,144,156,182],"into":[112,160],"its":[113],"dynamical":[114,143,180],"nondynamical":[116],"parts":[117],"analyzed":[119],"four-electron":[124],"ions.":[127],"It":[128],"shown":[130],"a":[132,169,222,281,287],"\u201creference":[133],"wave":[134,153],"function\u201d\u2014differing":[135],"from":[136,230],"exact":[138],"one":[139],"only":[140],"component\u2014can":[146],"always":[147],"be":[148],"found.":[149],"Based":[150],"on":[151,168],"function,":[154],"partitioned":[159],"\u201clong-range\u201d":[161],"\u201cshort-range\u201d":[163,181],"contributions.":[164],"A":[165],"based":[167],"cluster-expansion":[170],"technique":[171],"advanced":[173],"purpose":[176],"treating":[178],"component.":[183],"molecules,":[189],"derivation":[191],"coupled":[193],"first-order":[194],"integral":[195],"equations":[196],"transformations":[199,209,297],"prolate-spheroidal":[201],"coordinates":[202],"discussed.":[204,274],"these":[207],"molecular":[211,282],"orbitals":[212],"involving":[213],"single":[214],"\u03b6":[215],"atomic":[216],"functions":[217],"carried":[219],"out":[220],"comparison":[223],"made":[225],"between":[226],"energies":[228],"coming":[229],"original":[232],"locally":[235],"scaled":[236],"orbitals.":[237],"minimization":[240],"kinetic":[243],"fixed":[246],"discussed":[250],"as":[251,286],"procedure":[253],"equivalent":[255],"solving":[257],"Kohn\u2013Sham":[259],"x-only":[260],"equations.":[261],"Finally,":[262],"some":[263],"extensions":[264],"polyatomic":[268],"systems":[269],"(molecules":[270],"solids)":[272],"particular,":[276],"possibility":[278],"generating":[280],"collection":[288],"atom-centered":[290],"applying":[294],"nonisotropic":[295],"solids":[299],"considered.":[301],"\u00a9":[302],"1999":[303,314],"John":[304],"Wiley":[305],"&":[306],"Sons,":[307],"Inc.":[308],"J":[309],"Comput":[310],"Chem":[311],"20:":[312],"155\u2013183,":[313]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}