How electrons guard the space: Shape optimization with probability distribution criteria

Theoretical Chemistry Accounts

Volumn 111, Issue 2-6, 2004, Pages 373-380

  Cancès, Eric ^a   Keriven, Renaud ^a   Lodier, François ^a   Savin, Andreas ^b  

^a UNIVERSITÉ PARIS EST   (France)

^b LABORATOIRE DE CHIMIE THÉORIQUE   (France)

Author keywords

Electron pairs; Fock; Hartree; Probability distribution; Shape optimization; Spatial seperator

Indexed keywords

ARTICLE; CALCULATION; ELECTRON; MOLECULAR DYNAMICS; MOLECULAR PHYSICS; PROBABILITY; QUANTUM MECHANICS; THEORETICAL MODEL; THEORETICAL STUDY;

EID: 2442436500     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-003-0509-4     Document Type: Article

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