Linking the historical and chemical definitions of diabatic states for charge and excitation energy transfer reactions in condensed phase

Journal of Chemical Physics

Volumn 135, Issue 13, 2011, Pages

  Pavanello, Michele ^a   Neugebauer, Johannes ^a,b  

^a LEIDEN UNIVERSITY   (Netherlands)

^b TECHNICAL UNIVERSITY OF BRAUNSCHWEIG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADIABATIC STATE; CONDENSED PHASE; CONDON APPROXIMATION; DIABATIC STATE; DIAGONALIZATIONS; DYNAMIC COUPLINGS; ELECTRON TRANSFER; ENVIRONMENTAL CONTRIBUTIONS; FINAL STATE; LARGE SCALE SIMULATIONS; LOCALIZATION ALGORITHM; MARCUS THEORY; MATRIX; MOLECULAR ENVIRONMENT; PRACTICAL CALCULATION; SCALAR PRODUCT; SURROUNDING ENVIRONMENT; TRANSITION DIPOLE MOMENTS;

COUPLINGS; ELECTRIC DIPOLE MOMENTS; ENERGY TRANSFER; EXCITATION ENERGY;

APPROXIMATION ALGORITHMS;

EID: 80054711016     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3645181     Document Type: Article

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