Spin-spin coupling constants and triplet instabilities in Kohn-Sham theory

Molecular Physics

Volumn 108, Issue 19-20, 2010, Pages 2579-2590

  Lutnæs, Ola B ^a   Helgaker, Trygve ^a   Jaszuński, Micha ^b  

^a UNIVERSITY OF OSLO   (Norway)

^b INSTITUTE OF ORGANIC CHEMISTRY   (Poland)

Author keywords

Hartree Fock theory; spin spin coupling constants; triplet excitations; triplet instabilities

Indexed keywords

COUPLING CONSTANTS; ELECTRONIC SYSTEMS; EXCHANGE-CORRELATION FUNCTIONALS; FERMI-CONTACT; GRADIENT APPROXIMATION; HARTREE-FOCK THEORY; NUCLEAR SPINS; PERDEW-BURKE-ERNZERHOF; RESTRICTED HARTREE-FOCK; SMALL MOLECULES; SPIN-SPIN COUPLING CONSTANTS; TRIPLET EXCITATION; TRIPLET INSTABILITIES;

QUANTUM THEORY; SPIN DYNAMICS;

MOLECULAR PHYSICS;

EID: 78449305150     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2010.513344     Document Type: Conference Paper

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