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Journal of Chemical Physics

Volumn 135, Issue 7, 2011, Pages

Communication: Configuration interaction singles has a large systematic bias against charge-transfer states

(1) Subotnik, Joseph E a

a UNIVERSITY OF PENNSYLVANIA (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYTICAL MODEL; CHARGE TRANSFER STATE; CHEMICAL PROBLEMS; CONFIGURATION INTERACTION SINGLES; ELECTRON-ELECTRON CORRELATION; INTRA-MOLECULAR ELECTRON TRANSFER; SYSTEMATIC BIAS; VERTICAL EXCITATION ENERGY; WAVE FUNCTION THEORY;

CHARGE TRANSFER; CHEMICAL ANALYSIS; ELECTRON CORRELATIONS; ELECTRONIC STRUCTURE; ION EXCHANGE; MATHEMATICAL MODELS;

EXCITED STATES;

EID: 80052075541 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3627152 Document Type: Article

Times cited : (88)

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