Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States
Ronca, Enrico, Angeli, Celestino, Belpassi, Leonardo, De Angelis, Filippo, Tarantelli, Francesco, Pastore, MariachiaraVolume:
10
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct5004675
Date:
September, 2014
File:
PDF, 1.20 MB
english, 2014