Convergence enhancement in the iterative solution of the second-order contracted schrödinger equation

International Journal of Quantum Chemistry

Volumn 102, Issue 5 SPEC. ISS., 2005, Pages 620-628

  Alcoba, D R ^a   Casquero, F J ^b   Tel, L M ^b   Perez Romero E ^b   Valdemoro, C ^c  

^a UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^b UNIVERSITY OF SALAMANCA   (Spain)

^c INSTITUTO DE MATEMÁTICAS Y FÍSICA FUNDAMENTAL   (Spain)

Author keywords

Contracted Schr dinger equation; Electron correlation; N representability; Reduced density matrix

Indexed keywords

BERYLLIUM COMPOUNDS; ELECTRON ENERGY LEVELS; ITERATIVE METHODS; MATRIX ALGEBRA; OSCILLATIONS; POTENTIAL ENERGY; PURIFICATION;

CONTRACTED SCHRÖDINGER EQUATION; ELECTRON CORRELATION; N-REPRESENTABILITY; REDUCED DENSITY MATRIX;

QUANTUM THEORY;

EID: 17644397050     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20441     Document Type: Article

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