Triplet instability in doublet systems

Journal of Chemical Physics

Volumn 121, Issue 16, 2004, Pages 7624-7631

  Szalay, Péter G ^a,b   Vázquez, Juana ^a   Simmons, Chris ^a   Stanton, John F ^a  

^a The University of Texas at Austin   (United States)

^b EÖTVÖS LORÁND UNIVERSITY   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

COUPLED CLUSTERS (CC); RESTRICTED KOHN-SHAM (RKS) FORMALISM; UNRESTRICTED KOHN-SHAM (RKS) FORMALISM; WAVE FUNCTIONS;

APPROXIMATION THEORY; CONTAMINATION; CORRELATION METHODS; DERIVATIVES; EIGENVALUES AND EIGENFUNCTIONS; FUNCTIONS; GRAPH THEORY; NITROGEN OXIDES; PERTURBATION TECHNIQUES; POTENTIAL ENERGY;

MOLECULAR DYNAMICS;

EID: 8344254470     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1795153     Document Type: Review

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