Spin-adapted open-shell time-dependent density functional theory. III. An even better and simpler formulation

Journal of Chemical Physics

Volumn 135, Issue 19, 2011, Pages

  Li, Zhendong ^a   Liu, Wenjian ^a  

^a PEKING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CLOSED SHELLS; COMPUTATIONAL COSTS; EXCHANGE-CORRELATIONS; FUNCTIONALS; HIGH SPINS; LOW-LYING EXCITED STATE; OPEN-SHELL; OPEN-SHELL SYSTEMS; RANDOM PHASE APPROXIMATIONS; SINGLE EXCITATION; SPIN CONTAMINATION; SPIN DEGENERACY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

EXCITED STATES; SHELLS (STRUCTURES);

DENSITY FUNCTIONAL THEORY;

ARTICLE; QUANTUM THEORY; TIME;

QUANTUM THEORY; TIME FACTORS;

EID: 81855180854     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3660688     Document Type: Article

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