Towards a spin-adapted coupled-cluster theory for high-spin open-shell states

Journal of Chemical Physics

Volumn 124, Issue 12, 2006, Pages

  Heckert, Miriam ^a   Heun, Oliver ^a   Gauss, Jürgen ^a   Szalay, Páter G ^b  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

^b EÖTVÖS LORÁND UNIVERSITY   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BAND STRUCTURE; COMPUTATIONAL COMPLEXITY; CONSTRAINT THEORY; ELECTRON ENERGY LEVELS; ENERGY GAP;

OPEN-SHELL STATES; QUANTUM CHEMISTRY; SPIN CONSTRAINTS; SPIN-ADAPTED COUPLED-CLUSTER (SA-CC);

QUANTUM THEORY;

EID: 34547926460     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2179070     Document Type: Article

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