The numerical condition of electron correlation theories when only active pairs of electrons are spin-unrestricted

Journal of Chemical Physics

Volumn 130, Issue 18, 2009, Pages

  Lawler, Keith V ^a   Parkhill, John A ^a   Head Gordon, Martin ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER MODELS; CONDITION NUMBERS; COUPLED-CLUSTER METHODS; GRADIENT FORMULAS; HIGH QUALITY; LAGRANGIAN; MOLECULAR SYSTEMS; NUMERICAL CONDITION; ORBITALS; PENALTY FUNCTION; SINGULAR LIMITS; STABILITY ANALYSIS; STRONGLY CORRELATED ELECTRONS;

COMMUNICATION CHANNELS (INFORMATION THEORY); NUMBER THEORY; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SPIN DYNAMICS;

CORRELATION THEORY;

EID: 67249157154     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3134223     Document Type: Article

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