Efficient linear-scaling calculation of response properties: Density matrix-based Laplace-transformed coupled-perturbed self-consistent field theory

Journal of Chemical Physics

Volumn 128, Issue 22, 2008, Pages

  Beer, Matthias ^a   Ochsenfeld, Christian ^a  

^a UNIVERSITY OF TÜBINGEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CURRENT VOLTAGE CHARACTERISTICS; EIGENVALUES AND EIGENFUNCTIONS; INTEGRAL EQUATIONS; LAPLACE EQUATION; LAPLACE TRANSFORMS; MOLECULAR ORBITALS; MOLECULES; NUMERICAL METHODS; QUANTUM THEORY; SOLUTIONS;

(E ,2E) THEORY; AMERICAN INSTITUTE OF PHYSICS (AIP); DENSITY MATRICES; GENERAL (CO); MOLECULAR ORBITAL (MO); RESPONSE PROPERTIES; SCALING BEHAVIORS; SELF-CONSISTENT-FIELD (SCF); SELF-CONSISTENT-FIELD THEORY (SCFT);

MATRIX ALGEBRA;

ARTICLE; QUANTUM THEORY; TIME;

QUANTUM THEORY; TIME FACTORS;

EID: 45149111896     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2940731     Document Type: Article

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