Application of accelerated long-range corrected exchange...

The Journal of Chemical Physics 2020 / 03 Vol. 152; Iss. 10

Application of accelerated long-range corrected exchange functional [LC-DFT(2Gau)] to periodic boundary condition systems: CO adsorption on Cu(111) surface

Mishima, Kenji, Kaneko, Masanori, Song, Jong-Won, Kawai, Hiroki, Yamashita, Koichi, Hirao, Kimihiko
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Volume:
152
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.5141919
Date:
March, 2020
File:
PDF, 1.98 MB
2020
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