Geometry optimization using generalized, chemically meaningful constraints

Journal of Computational Chemistry

Volumn 28, Issue 13, 2007, Pages 2226-2236

  Budzelaar, Peter H M ^a  

^a UNIVERSITY OF MANITOBA   (Canada)

Author keywords

Constraints; Geometry optimization; Lagrangian; Projection

Indexed keywords

CONSTRAINED OPTIMIZATION; LAGRANGE MULTIPLIERS; QUANTUM CHEMISTRY;

GEOMETRY OPTIMIZERS; PROJECTION; QUANTUM CHEMICAL CODES;

GEOMETRY;

EID: 34548083705     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20740     Document Type: Article

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