Ab initio simulations of two-dimensional electronic spectra: The SOS//QM/MM approach

International Journal of Quantum Chemistry

Volumn 114, Issue 2, 2014, Pages 85-93

  Rivalta, Ivan ^a   Nenov, Artur ^a   Cerullo, Giulio ^b   Mukamel, Shaul ^c   Garavelli, Marco ^a,d  

^a UNIVERSITY OF BOLOGNA   (Italy)

^b POLITECNICO DI MILANO   (Italy)

^c UNIVERSITY OF CALIFORNIA   (United States)

^d UNIVERSITÉ DE LYON   (France)

Author keywords

2DUV spectra; electronic coupling; protein structure; two dimensional spectroscopy; wavefunction methods

Indexed keywords

AB INITIO ELECTRONIC STRUCTURE METHODS; COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELDS; ELECTRONIC COUPLING; MOLECULAR DYNAMICS TECHNIQUES; PROTEIN STRUCTURES; SUM-OVER-STATES APPROACHES; TWO-DIMENSIONAL ELECTRONIC SPECTROSCOPIES; WAVE FUNCTION METHOD;

ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY TRANSFER; MOLECULAR DYNAMICS; PERTURBATION TECHNIQUES; PROTEINS;

TWO DIMENSIONAL;

EID: 84889878424     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.24511     Document Type: Review

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