A variationally stable compact Hartree-Fock-style wavefunction for a non-degenerate first excited state

Molecular Physics

Volumn 105, Issue 17-18, 2007, Pages 2363-2373

  Richings, Gareth W ^a,b   Karadakov, Peter B ^a  

^a UNIVERSITY OF YORK   (United Kingdom)

^b JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

Excited states; Extended pairing theorem; Variationally stable excited state wavefunctions

Indexed keywords

APPROXIMATION THEORY; EXCITED STATES; GRADIENT METHODS; GROUND STATE; OPTIMIZATION; THEOREM PROVING;

ENERGY OPTIMIZATION; EXTENDED PAIRING THEOREM; VARIATIONALLY STABLE EXCITED STATE WAVEFUNCTIONS;

WAVE FUNCTIONS;

EID: 40949150256     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970701618457     Document Type: Article

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