Basit öğe kaydını göster

Hartree-Fock-Roothaan theory of molecular Compton profiles via the position space method

dc.contributor.authorÖzdoğan T.
dc.contributor.authorEraslan M.
dc.contributor.authorOrbay M.
dc.date.accessioned2024-03-12T19:35:15Z
dc.date.available2024-03-12T19:35:15Z
dc.date.issued2023
dc.identifier.isbn9780443186639
dc.identifier.issn00653276
dc.identifier.urihttps://doi.org/10.1016/bs.aiq.2023.03.004
dc.identifier.urihttps://hdl.handle.net/20.500.12450/2865
dc.description.abstractThe Hartree-Fock-Roothaan theory of atomic and molecular Compton profiles has been presented. Calculations reduce to evaluating molecular Compton profile integrals. An analytical and general formula has been derived for molecular Compton profile integrals. Computer programs have been constructed for molecular Compton profiles. Using these programs, Compton profiles of test molecules CH4, H2O and CO2 have been calculated for a wide range of incident photon energy. Results obtained for Compton profiles of these molecules agree with those in the literature. © 2023 Elsevier Inc.en_US
dc.description.sponsorshipThe authors express deepest appreciation to Philip Hoggan for editing the manuscript.en_US
dc.language.isoengen_US
dc.publisherAcademic Press Inc.en_US
dc.relation.ispartofAdvances in Quantum Chemistryen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectCompton profileen_US
dc.subjectHartree-Fock-Roothaan theoryen_US
dc.subjectMolecular integralsen_US
dc.titleHartree-Fock-Roothaan theory of molecular Compton profiles via the position space methoden_US
dc.typebookParten_US
dc.departmentAmasya Üniversitesien_US
dc.identifier.volume88en_US
dc.identifier.startpage151en_US
dc.identifier.endpage158en_US
dc.relation.publicationcategoryKitap Bölümü - Uluslararasıen_US
dc.identifier.scopus2-s2.0-85160560002en_US
dc.identifier.doi10.1016/bs.aiq.2023.03.004
dc.department-tempÖzdoğan, T., Department of Mathematics and Science Education, Faculty of Education, Amasya University, Amasya, Turkey; Eraslan, M., Department of Property Protection and Security, Occupational Health and Safety Program, Merzifon Vocational School, Amasya University, Amasya, Turkey; Orbay, M., Department of Mathematics and Science Education, Faculty of Education, Amasya University, Amasya, Turkeyen_US
dc.authorscopusid55922474500
dc.authorscopusid57041045600
dc.authorscopusid15837929900


Bu öğenin dosyaları:

DosyalarBoyutBiçimGöster

Bu öğe ile ilişkili dosya yok.

Bu öğe aşağıdaki koleksiyon(lar)da görünmektedir.

Basit öğe kaydını göster