Quantum Monte Carlo calculation of correlation effects on bond orders

Theoretical Chemistry Accounts

Volumn 117, Issue 1, 2007, Pages 41-48

  Müller, Carsten ^a   Flad, Heinz Jürgen ^b   Kohout, Miroslav ^c   Reinhold, Joachim ^d  

^a UPPSALA UNIVERSITY   (Sweden)

^b MAX PLANCK INSTITUTE FOR MATHEMATICS IN THE SCIENCES   (Germany)

^c MAX PLANCK INSTITUTE FOR CHEMICAL PHYSICS OF SOLIDS   (Germany)

^d UNIVERSITY OF LEIPZIG   (Germany)

Author keywords

Bond order; Charge fluctuations; Electron correlation; Quantum Monte Carlo

Indexed keywords

EID: 33751255079     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-006-0131-3     Document Type: Article

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