Pub Date : 2019-01-01DOI: 10.1016/s0065-3276(19)x0002-7
{"title":"State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More","authors":"","doi":"10.1016/s0065-3276(19)x0002-7","DOIUrl":"https://doi.org/10.1016/s0065-3276(19)x0002-7","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"55918296","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-10-30DOI: 10.1016/BS.AIQ.2019.06.007
I. Nagy, I. Aldazabal
{"title":"Correlated model atom in a time-dependent external field: Sign effect in the energy shift","authors":"I. Nagy, I. Aldazabal","doi":"10.1016/BS.AIQ.2019.06.007","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2019.06.007","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2019.06.007","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45375840","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-10-14DOI: 10.1016/bs.aiq.2021.08.001
A. Budylin, Y. Koptelov, S. Levin, S. Sokolov
{"title":"On asymptotic structure of three-body scattering states for the scattering problem of charged quantum particles","authors":"A. Budylin, Y. Koptelov, S. Levin, S. Sokolov","doi":"10.1016/bs.aiq.2021.08.001","DOIUrl":"https://doi.org/10.1016/bs.aiq.2021.08.001","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45499221","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-01-01DOI: 10.1016/BS.AIQ.2017.07.002
P. Hoggan
{"title":"Quantum Monte Carlo Calculations for Industrial Catalysts: Accurately Evaluating the H2 Dissociation Reaction Barrier on Pt(111)","authors":"P. Hoggan","doi":"10.1016/BS.AIQ.2017.07.002","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2017.07.002","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"76 1","pages":"271-278"},"PeriodicalIF":0.0,"publicationDate":"2018-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2017.07.002","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"54041511","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-01-01DOI: 10.1016/BS.AIQ.2018.01.001
R. Cabrera-Trujillo, J. Oddershede
{"title":"Dipole sum rules of an endohedral confined hydrogen atom: Effects of cavity discontinuity","authors":"R. Cabrera-Trujillo, J. Oddershede","doi":"10.1016/BS.AIQ.2018.01.001","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2018.01.001","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"77 1","pages":"295-315"},"PeriodicalIF":0.0,"publicationDate":"2018-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2018.01.001","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"54041530","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-01-01DOI: 10.1016/BS.AIQ.2017.05.002
E. V. Ludeña, D. Arroyo, Edison Salazar, J. Vallejo
{"title":"The Kinetic Energy Pauli Enhancement Factor and Its Role in Determining the Shell Structure of Atoms and Molecules","authors":"E. V. Ludeña, D. Arroyo, Edison Salazar, J. Vallejo","doi":"10.1016/BS.AIQ.2017.05.002","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2017.05.002","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"76 1","pages":"59-78"},"PeriodicalIF":0.0,"publicationDate":"2018-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2017.05.002","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"54041397","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-01-01DOI: 10.1016/BS.AIQ.2017.05.003
D. R. Alcoba, A. Torre, L. Lain, O. Oña, G. Massaccesi, P. Capuzzi
{"title":"Hybrid Treatments Based on Determinant Seniority Numbers and Spatial Excitation Levels in the Configuration Interaction Framework","authors":"D. R. Alcoba, A. Torre, L. Lain, O. Oña, G. Massaccesi, P. Capuzzi","doi":"10.1016/BS.AIQ.2017.05.003","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2017.05.003","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"271 1","pages":"315-332"},"PeriodicalIF":0.0,"publicationDate":"2018-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2017.05.003","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"54041484","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-09-28DOI: 10.1016/BS.AIQ.2017.07.005
J. Avery, J. Avery
{"title":"4-Center STO Interelectron Repulsion Integrals With Coulomb Sturmians","authors":"J. Avery, J. Avery","doi":"10.1016/BS.AIQ.2017.07.005","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2017.07.005","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"76 1","pages":"133-146"},"PeriodicalIF":0.0,"publicationDate":"2017-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2017.07.005","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48131528","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-09-22DOI: 10.1016/BS.AIQ.2017.07.004
A. Mendez, D. Mitnik, J. Miraglia
{"title":"Local Effective Hartree–Fock Potentials Obtained by the Depurated Inversion Method","authors":"A. Mendez, D. Mitnik, J. Miraglia","doi":"10.1016/BS.AIQ.2017.07.004","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2017.07.004","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"76 1","pages":"117-132"},"PeriodicalIF":0.0,"publicationDate":"2017-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2017.07.004","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45660144","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-09-15DOI: 10.1016/BS.AIQ.2017.07.003
M. Hehenberger
{"title":"Per-Olov Löwdin's Impact on a “Lost Son”","authors":"M. Hehenberger","doi":"10.1016/BS.AIQ.2017.07.003","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2017.07.003","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"77 1","pages":"1-18"},"PeriodicalIF":0.0,"publicationDate":"2017-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2017.07.003","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47461371","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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