Note on the calculation of analytical hessians in the Zeroth-Order Regular Approximation (ZORA)

International Journal of Quantum Chemistry

Volumn 106, Issue 12, 2006, Pages 2525-2528

  Van Lenthe, J H ^a   Van Lingen, J N J ^a  

^a UTRECHT UNIVERSITY   (Netherlands)

Author keywords

Analytical Hessian; Scalar relativistic; ZORA

Indexed keywords

APPROXIMATION THEORY; DIMERS; GOLD; NUMERICAL ANALYSIS; OPTIMIZATION; QUANTUM THEORY;

ANALYTICAL HESSIAN; SCALAR RELATIVISTIC; ZORA;

COMPUTATIONAL GEOMETRY;

EID: 33748428872     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21047     Document Type: Article

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