A new electronic structure method for doublet states: Configuration interaction in the space of ionized 1h and 2h1p determinants

Journal of Chemical Physics

Volumn 130, Issue 12, 2009, Pages

  Golubeva, Anna A ^a   Pieniazek, Piotr A ^a   Krylov, Anna I ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BENCHMARKING; BENZENE; ELECTRONIC STATES; ELECTRONIC STRUCTURE; EQUATIONS OF MOTION; ERRORS; IONIZATION OF LIQUIDS; IONIZATION POTENTIAL; POSITIVE IONS;

AVERAGE ABSOLUTE ERRORS; BENZENE DIMERS; CLOSED SHELLS; CONFIGURATION INTERACTIONS; COUPLED CLUSTERS; DOUBLE SUBSTITUTIONS; DOUBLET STATE; ELECTRON SYSTEMS; ENERGY CALCULATIONS; EQUILIBRIUM GEOMETRIES; HARTREE-FOCK; INTRAMOLECULAR DISTANCES; IONIZED STATE; MAXIMUM ERRORS; NEW APPROACHES; REFERENCE STATE; REFERENCE WAVE FUNCTIONS; SEMI-QUANTITATIVE; STANDARD DEVIATIONS; TRANSITION DIPOLES;

INTERNET PROTOCOLS;

EID: 63649161011     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3098949     Document Type: Article

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