Computation of Second Harmonic Generation for Crystalline Urea and KDP. An ab initio Approach through the Coupled Perturbed Hartree-Fock/Kohn-Sham scheme
Rérat, Michel, Maschio, Lorenzo, Kirtman, Bernard, Civalleri, Bartolomeo, Dovesi, RobertoLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.5b00791
Date:
December, 2015
File:
PDF, 886 KB
english, 2015