The parallel implementation of configuration-selecting multireference configuration interaction method

Journal of Computational Chemistry

Volumn 20, Issue 14, 1999, Pages 1559-1570

  Stampfuss, P ^a   Wenzel, W ^a   Keiter, H ^a  

^a TU DORTMUND UNIVERSITY   (Germany)

Author keywords

Benchmark methods; Configuration selecting multireference configuration interaction method (MRCI); Massively parallel computation; Scalable implementation; Transition residue based matrix element evaluation

Indexed keywords

EID: 0008138231     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(19991115)20:14<1559::AID-JCC9>3.0.CO;2-B     Document Type: Article

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