A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution(465 views) Improta R, Barone V, Scalmani G, Frisch MJ
Keywords: Paramount Relevance, Polarizable Continuum Model (pcm), State Specific(ss), Time Dependent Density Functional Theory (td-Dft), Band Structure, Continuum Mechanics, Electron Transitions, Electronic Structure, Linear Systems, Polarization, Probability Density Function, Quantum Theory, Relaxation Processes, Solvents, Spectroscopic Analysis, Solutions, Coumarin 153, Coumarin Derivative, Formaldehyde, Article, Biophysics, Chemical Model, Chemistry, Computer Program, Conformation, Methodology, Physical Chemistry, Spectrophotometry, Statistical Model, Molecular Conformation, Software, Time Factors, State Specific (ss),
Affiliations: *** IBB - CNR ***
Dipartimento di Chimica, Università Federico II, Complesso Monte S. Angela, via. Cintia, I-80126 Napoli, Italy
Istituto di Biostrutture e Bioimmagini, CNR, via Mezzocannone 16, 80134 Napoli, Italy
Gaussian, Inc., Wallingford, CT 06492, United States
References: Not available.
A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution