A global investigation of excited state surfaces within time-dependent density-functional response theory

Journal of Chemical Physics

Volumn 120, Issue 4, 2004, Pages 1674-1692

  Wanko, M ^a   Garavelli, M ^b   Bernardi, F ^b   Niehaus, T A ^a,c   Frauenheim, T ^a   Elstner, M ^a,c  

^a UNIVERSITY OF PADERBORN   (Germany)

^b UNIVERSITY OF BOLOGNA   (Italy)

^c GERMAN CANCER RESEARCH CENTER DKFZ   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ASYMPTOTIC STABILITY; CHARGE TRANSFER; CHEMICAL BONDS; CHEMICAL SENSORS; ELECTRONIC STRUCTURE; GROUND STATE; ISOMERIZATION; OPTIMIZATION; PERTURBATION TECHNIQUES; PHOTOSYNTHESIS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION;

MINIMUM ENERGY PATH (MEP); MOLECULAR ORBITALS; RADIATIVE ENERGY;

AROMATIC COMPOUNDS;

EID: 1242264766     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1635798     Document Type: Article

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