Koopmans' theorem in the restricted open-shell hartree-fock method. 1. A variational approach

Journal of Physical Chemistry A

Volumn 113, Issue 45, 2009, Pages 12386-12395

  Plakhutin, Boris N ^a   Davidson, Ernest R ^b  

^a BORESKOV INSTITUTE OF CATALYSIS   (Russian Federation)

^b UNIVERSITY OF WASHINGTON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SPACES; EIGENVALUES; FULL CI; HARTREE-FOCK; HARTREE-FOCK METHODS; OPEN-SHELL; OPEN-SHELL SYSTEMS; ORBITAL ENERGY; VARIATIONAL APPROACHES; VARIATIONAL TREATMENT;

EIGENVALUES AND EIGENFUNCTIONS; IONS; MOLECULAR PHYSICS; SPIN DYNAMICS; SURFACE STRUCTURE;

SHELLS (STRUCTURES);

EID: 70449359755     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9002593     Document Type: Article

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