Calculations of spin-spin coupling constants with the self-consistent polarization propagator approximation in non-singlet unstable wavefunctions

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Nuclear spin-spin coupling constants are calculated with the self-consistent polarization propagator approximation method starting from a semi-empirical non-singlet unstable wavefunction. Effects on α and π transmitted components are separately analysed. Resultss show that this approximation is an a...

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Autores principales: Scuseria, G.E., Contreras, R.H.
Formato: JOUR
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00092614_v93_n5_p425_Scuseria
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
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spelling todo:paper_00092614_v93_n5_p425_Scuseria2023-10-03T14:08:34Z Calculations of spin-spin coupling constants with the self-consistent polarization propagator approximation in non-singlet unstable wavefunctions Scuseria, G.E. Contreras, R.H. Nuclear spin-spin coupling constants are calculated with the self-consistent polarization propagator approximation method starting from a semi-empirical non-singlet unstable wavefunction. Effects on α and π transmitted components are separately analysed. Resultss show that this approximation is an adequate framework for the Fermi contact term when the corresponding HF state presents a non-singlet instability. © 1982. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_00092614_v93_n5_p425_Scuseria
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
description Nuclear spin-spin coupling constants are calculated with the self-consistent polarization propagator approximation method starting from a semi-empirical non-singlet unstable wavefunction. Effects on α and π transmitted components are separately analysed. Resultss show that this approximation is an adequate framework for the Fermi contact term when the corresponding HF state presents a non-singlet instability. © 1982.
format JOUR
author Scuseria, G.E.
Contreras, R.H.
spellingShingle Scuseria, G.E.
Contreras, R.H.
Calculations of spin-spin coupling constants with the self-consistent polarization propagator approximation in non-singlet unstable wavefunctions
author_facet Scuseria, G.E.
Contreras, R.H.
author_sort Scuseria, G.E.
title Calculations of spin-spin coupling constants with the self-consistent polarization propagator approximation in non-singlet unstable wavefunctions
title_short Calculations of spin-spin coupling constants with the self-consistent polarization propagator approximation in non-singlet unstable wavefunctions
title_full Calculations of spin-spin coupling constants with the self-consistent polarization propagator approximation in non-singlet unstable wavefunctions
title_fullStr Calculations of spin-spin coupling constants with the self-consistent polarization propagator approximation in non-singlet unstable wavefunctions
title_full_unstemmed Calculations of spin-spin coupling constants with the self-consistent polarization propagator approximation in non-singlet unstable wavefunctions
title_sort calculations of spin-spin coupling constants with the self-consistent polarization propagator approximation in non-singlet unstable wavefunctions
url http://hdl.handle.net/20.500.12110/paper_00092614_v93_n5_p425_Scuseria
work_keys_str_mv AT scuseriage calculationsofspinspincouplingconstantswiththeselfconsistentpolarizationpropagatorapproximationinnonsingletunstablewavefunctions
AT contrerasrh calculationsofspinspincouplingconstantswiththeselfconsistentpolarizationpropagatorapproximationinnonsingletunstablewavefunctions
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