Analytic second derivatives for general coupled-cluster and configuration-interaction models

Journal of Chemical Physics

Volumn 120, Issue 15, 2004, Pages 6841-6848

  Kállay, Mihály ^a   Gauss, Jürgen ^a  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTATION THEORY; HARMONIC ANALYSIS; LAGRANGE MULTIPLIERS; MOLECULAR VIBRATIONS; NUCLEAR MAGNETIC RESONANCE; PERTURBATION TECHNIQUES; TENSORS;

CHEMICAL SHIFTS; CONFIGURATION INTERACTION (CI) METHODS; SELF CONSISTENT FIELDS; VIBRATIONAL FREQUENCIES;

MOLECULAR DYNAMICS;

EID: 2342590152     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1668632     Document Type: Article

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