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Comparison of the Auxiliary Density Perturbation Theory and the Noniterative Approximation to the Coupled Perturbed Kohn−Sham Method: Case Study of the Polarizabilities of Disubstituted Azoarene Molecules
Shedge, Sapana V., Carmona-Espíndola, Javier, Pal, Sourav, Köster, Andreas M.Volume:
114
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp909966f
Date:
February, 2010
File:
PDF, 812 KB
english, 2010