Koopmans' theorem in the ROHF method: Canonical form for the Hartree-Fock Hamiltonian

Journal of Chemical Physics

Volumn 125, Issue 20, 2006, Pages

  Plakhutin, B N ^a   Gorelik, E V ^a,b   Breslavskaya, N N ^c  

^a BORESKOV INSTITUTE OF CATALYSIS   (Russian Federation)

^b INTERNATIONAL TOMOGRAPHY CENTER   (Russian Federation)

^c KURNAKOV INSTITUTE OF GENERAL AND INORGANIC CHEMISTRY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION THEORY; ELECTRONS; HAMILTONIANS; IONIZATION; THEOREM PROVING;

ELECTRON AFFINITIES; KOOPMANS' THEOREM; ONE-ELECTRON ENERGIES; OPEN-SHELL ENERGIES;

QUANTUM THEORY;

EID: 33751563553     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2393223     Document Type: Article

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