Exchange-correlation energy in the orbital occupancy method: Electronic structure of organic molecules

Journal of Physics Condensed Matter

Volumn 15, Issue 38, 2003, Pages

  Oszwaldowski, R ^a,b   Vazquez H ^a   Pou, P ^a   Ortega, J ^a   Perez R ^a   Flores, F ^a  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^b Institut Fizyki   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BINDING ENERGY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; MOLECULES; PROBABILITY DENSITY FUNCTION; THEOREM PROVING;

EXCHANGE-CORRELATION ENERGY; KOOPMAN RELAXATION ENERGIES; KOOPMAN THEOREM; LOCAL DENSITY APPROXIMATION; MOLECULE DENSITY OF STATES; OPTICAL GAP; ORBITAL OCCUPANCY METHOD; PERYLENETETRACARBOXYLICDIANHYDRIDE;

ORGANIC COMPOUNDS;

EID: 0141938914     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/15/38/006     Document Type: Article

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