Ionization potentials from the extended Koopmans' theorem applied to density matrix functional theory

Chemical Physics Letters

Volumn 412, Issue 1-3, 2005, Pages 71-75

  Pernal, Katarzyna ^a,b   Cioslowski, Jerzy ^b  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

^b UNIVERSITY OF SZCZECIN   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CARRIER CONCENTRATION; EIGENVALUES AND EIGENFUNCTIONS; GROUND STATE; IONIZATION; PROBABILITY DENSITY FUNCTION;

DENSITY-MATRIX FUNCTIONAL THEORY (DMFT); IONIZATION POTENTIALS; KOHN-SHAM (KS) EQUATIONS; MULTIPLE ENERGY-DIFFERENCE CALCULATIONS;

MATRIX ALGEBRA;

EID: 23144462708     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.06.103     Document Type: Article

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