Fractional Charge Behavior and Band Gap Predictions with...

Journal of Physical Chemistry A 2014 / 10 Vol. 118; Iss. 39

Fractional Charge Behavior and Band Gap Predictions with the XYG3 Type of Doubly Hybrid Density Functionals

Su, Neil Qiang, Yang, Weitao, Mori-Sánchez, Paula, Xu, Xin
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Volume:
118
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp5029992
Date:
October, 2014
File:
PDF, 1.40 MB
english, 2014
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