Equation-of-motion coupled cluster method with full inclusion of the connected triple excitations for ionized states: IP-EOM-CCSDT

Journal of Chemical Physics

Volumn 118, Issue 3, 2003, Pages 1128-1136

  Musial, Monika ^a   Kucharski, Stanislaw A ^b   Bartlett, Rodney J ^a  

^a UNIVERSITY OF FLORIDA   (United States)

^b UNIVERSITY OF SILESIA   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; EIGENVALUES AND EIGENFUNCTIONS; EQUATIONS OF MOTION; GROUND STATE; HAMILTONIANS; IONIZATION; MATHEMATICAL MODELS; MOLECULAR PHYSICS; NITROGEN;

COUPLED CLUSTER METHOD; EXCITED STATE; IONIZATION ENERGY; VALENCE VERTICAL IONIZATION POTENTIAL;

QUANTUM THEORY;

EID: 0037439845     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1527013     Document Type: Article

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