Revisiting the foundations of quantum theory of atoms in molecules (QTAIM): The variational procedure and the zero-flux conditions

International Journal of Quantum Chemistry

Volumn 108, Issue 9, 2008, Pages 1477-1484

  Nasertayoob, Payam ^a   Shahbazian, Shant ^a  

^a SHAHID BEHESHTI UNIVERSITY   (Iran)

Author keywords

Local zero flux condition; Mathematical neighborhoods; Net zero flux condition; Quantum theory of atoms in molecules (QTAIM); Variational procedure

Indexed keywords

EQUATIONS OF MOTION; SCHRODINGER EQUATION; VARIATIONAL TECHNIQUES;

NEIGHBORHOODS; VARIATIONAL PROCEDURE; ZERO-FLUX CONDITIONS;

QUANTUM CHEMISTRY;

EID: 43949110627     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21665     Document Type: Article

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