EDF: Computing electron number probability distribution functions in real space from molecular wave functions

Computer Physics Communications

Volumn 178, Issue 8, 2008, Pages 621-634

  Francisco, E ^a   Pendás, A Martín ^a   Blanco, M A ^a  

^a UNIVERSITY OF OVIEDO   (Spain)

Author keywords

Chemical bonding theory; Electron probability distribution; Molecular wave function; Quantum theory of atoms in molecules

Indexed keywords

CHEMICAL BONDS; LINEAR SYSTEMS; QUANTUM THEORY; WAVE FUNCTIONS;

CHEMICAL BONDING THEORY; ELECTRON PROBABILITY DISTRIBUTION; MOLECULAR WAVE FUNCTION;

PROBABILITY DISTRIBUTIONS;

EID: 40949154260     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2007.11.015     Document Type: Article

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