Assessing long-range corrected functionals with physically-adjusted range-separated parameters for calculating the polarizability and the second hyperpolarizability of polydiacetylene and polybutatriene chains
Nénon, Sébastien, Champagne, Benoît, Spassova, Milena I.Volume:
16
Year:
2014
Language:
english
Journal:
Physical Chemistry Chemical Physics
DOI:
10.1039/C4CP00105B
File:
PDF, 1.02 MB
english, 2014