Frozen density embedding calculations with the orbital-dependent localized Hartree-Fock Kohn-Sham potential

Chemical Physics Letters

Volumn 518, Issue , 2011, Pages 114-118

  Laricchia, S ^a   Fabiano, E ^b   Della Sala, F ^a,b  

^a ISTITUTO ITALIANO DI TECNOLOGIA   (Italy)

^b NATIONAL NANOTECHNOLOGY LABORATORY   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

FROZEN DENSITY; FUNCTIONALS; HARTREE-FOCK; KOHN SHAM EQUATIONS; KOHN-SHAM POTENTIAL; NON-ADDITIVE; SELF-INTERACTION ERROR;

EMBEDDED SYSTEMS; MOLECULAR PHYSICS;

IONIZATION POTENTIAL;

EID: 82555186963     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.10.055     Document Type: Article

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