Koopmans' theorem for large molecular systems within density functional theory

Journal of Physical Chemistry A

Volumn 110, Issue 43, 2006, Pages 12005-12009

  Luo, Ji ^a   Xue, Zeng Quan ^b   Liu, Wei Min ^b   Wu, Jin Lei ^b   Yang, Zhong Qin ^a  

^a FUDAN UNIVERSITY   (China)

^b PEKING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

COULOMB BLOCKADE; ELECTRON ENERGY LEVELS; IONIZATION; PROBABILITY DENSITY FUNCTION; RELAXATION PROCESSES; THEOREM PROVING;

IONIZATION ENERGY; KOOPMANS THEOREM; MOLECULAR ORBITAL ENERGY; ORBITAL RELAXATION;

MOLECULAR PHYSICS;

EID: 33751327463     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp063669m     Document Type: Article

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