Nanochemistry: [ASAP] Calculation of the Infrared Intensity of Crystalline Systems. A Comparison of Three Strategies Based on Berry Phase, Wannier Function, and Coupled-Perturbed Kohn–Sham Methods

Thursday, December 06, 2018

[ASAP] Calculation of the Infrared Intensity of Crystalline Systems. A Comparison of Three Strategies Based on Berry Phase, Wannier Function, and Coupled-Perturbed Kohn–Sham Methods

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The Journal of Physical Chemistry C

DOI: 10.1021/acs.jpcc.8b08902

from The Journal of Physical Chemistry C: Latest Articles (ACS Publications) https://ift.tt/2KYD3dy
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