Penalty functions for combining coupled-cluster and perturbation amplitudes in local correlation methods with optimized orbitals

Molecular Physics

Volumn 106, Issue 19, 2008, Pages 2309-2324

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

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

Ab initio; Computational chemistry; Electronic structure; Quantum chemistry

Indexed keywords

AROMATIC HYDROCARBONS; CHARGE COUPLED DEVICES; ELECTRON CORRELATIONS; ELECTRON DENSITY MEASUREMENT; ELECTRONIC STRUCTURE; ELECTRONS; HYDROCARBONS; INTERNET PROTOCOLS; PERTURBATION TECHNIQUES; PHOTOTRANSISTORS; PLATINUM COMPOUNDS; PROBABILITY DENSITY FUNCTION; SECURITY OF DATA;

AB INITIO; ATTRACTIVE METHODS; COMPUTATIONAL CHEMISTRY; COMPUTATIONALLY INEXPENSIVE; ELECTRON PAIRS; LOCAL ACTIVES; MULTIPLE RESONANCES; PAIR CORRELATIONS; PENALTY FUNCTIONS; PENALTY TERMS; PERFECT PAIRINGS; PERTURBATION AMPLITUDES; PERTURBATION THEORIES; SPACE CORRELATIONS; STRONG CORRELATIONS; VALENCE BONDS; WEAK CORRELATIONS;

CORRELATION METHODS;

EID: 57149092428     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970802443482     Document Type: Article

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