Analytical gradients for Singer's multicenter n-electron explicitly correlated Gaussians

International Journal of Quantum Chemistry

Volumn 82, Issue 4, 2001, Pages 151-159

  Cafiero, Mauricio ^a   Adamowicz, Ludwik ^a  

^a University of Arizona   (United States)

Author keywords

Analytic gradients; Correlated Gaussians; Matrix calculus; Nonlinear optimization; Variational energy

Indexed keywords

ELECTRONS; QUANTUM THEORY; WAVE EQUATIONS;

ANALYTIC GRADIENTS; GAUSSIAN FUNCTIONS;

GROUND STATE;

EID: 0035871565     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.1034     Document Type: Article

References (20)