Extracting elements of molecular structure from the all-particle wave function

Journal of Chemical Physics

Volumn 135, Issue 20, 2011, Pages

  Mátyus, Edit ^a   Hutter, Jürg ^b   Müller Herold, Ulrich ^a   Reiher, Markus ^a  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITY OF ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

NON-BORN OPPENHEIMER; NUMERICAL EXAMPLE; STRUCTURAL INFORMATION;

MOLECULAR STRUCTURE;

WAVE FUNCTIONS;

EID: 82555188419     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3662487     Document Type: Article

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