Use of symmetric rank-one hessian update in molecular geometry optimization

Journal of Computational Chemistry

Volumn 19, Issue 16, 1998, Pages 1877-1886

  Mitin, Alexander V ^a,b  

^a UNIVERSITY OF WUPPERTAL   (Germany)

^b JOINT INSTITUTE FOR HIGH TEMPERATURES   (Russian Federation)

Author keywords

ab initio calculations; Molecular geometry optimization; Optimization method; Update formula

Indexed keywords

EID: 0010286643     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199812)19:16<1877::AID-JCC8>3.0.CO;2-I     Document Type: Article

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