Discontinuities of the chemical potential in reduced density matrix functional theory

Zeitschrift fur Physikalische Chemie

Volumn 224, Issue 3-4, 2010, Pages 467-480

  Lathiotakis, N N ^a   Sharma, S ^b,f,g   Helbig, N ^d,f   Dewhurst, J K ^b,c,f   Marques, M A L ^e,f   Eich, F ^b,c,f   Baldsiefen, T ^b,f   Zacarias, A ^b,f   Gross, E K U ^b,f,g  

^a THEORETICAL AND PHYSICAL CHEMISTRY INSTITUTE   (Greece)

^b FREIE UNIVERSITÄT BERLIN   (Germany)

^c FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

^d UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^e UNIVERSITÉ LYON 1   (France)

^f European Theoretical Spectroscopy Facility   (Germany)

^g MAX PLANCK INSTITUTE OF MICROSTRUCTURE PHYSICS   (Germany)

Author keywords

Chemical potential; Discontinuities; Reduced density matrix functional theory

Indexed keywords

CHEMICAL POTENTIAL; ENERGY GAP; MOTT INSULATORS;

CORRELATION ENERGY; DISCONTINUITIES; FINITE SYSTEMS; FRACTIONAL CHARGES; FUNDAMENTAL GAPS; REDUCED-DENSITY MATRIX; REDUCED-DENSITY-MATRIX-FUNCTIONAL THEORY; SELF-INTERACTIONS;

QUANTUM THEORY;

EID: 77953305727     PISSN: 09429352     EISSN: None     Source Type: Journal    
DOI: 10.1524/zpch.2010.6118     Document Type: Article

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