Two-electron integrations in the quantum theory of atoms in molecules with correlated wave functions

Journal of Computational Chemistry

Volumn 26, Issue 4, 2005, Pages 344-351

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

^a UNIVERSITY OF OVIEDO   (Spain)

Author keywords

Energetic decomposition; Quantum Theory of Atoms in Molecules; Second order density matrix; Theory of the chemical bond; Two electron basin integrations

Indexed keywords

CHEMICAL BONDS; DECOMPOSITION; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONS; MATHEMATICAL TRANSFORMATIONS; MOLECULAR DYNAMICS; POLYNOMIALS;

ENERGETIC DECOMPOSITION; QUANTUM THEORY OF ATOMS IN MOLECULES; SECOND-ORDER DENSITY MATRIX; THEORY OF THE CHEMICAL BOND; TWO-ELECTRON BASIN INTEGRATIONS;

QUANTUM THEORY;

EID: 14744281663     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20173     Document Type: Article

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