Accelerated long-range corrected exchange functional using a two-gaussian operator combined with one-parameter progressive correlation functional [LC-BOP(2Gau)]
Author:
Affiliation:
1. Department of Chemistry Education; Daegu University; 201 Daegudae- ro, 38453, South Korea
2. Computational Chemistry Unit; RIKEN Advanced Institute for Computational Science; 7-1-26, Minatojima-minami-machi, Chuo-ku, Kobe Hyogo, 650-0047 Japan
Funder
National Research Foundation of Korea
Japan Society for the Promotion of Science
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.25542/fullpdf
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1. A family of attenuated Coulomb operators
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4. Self-Consistent Equations Including Exchange and Correlation Effects
5. Density‐functional thermochemistry. III. The role of exact exchange
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3. Application of accelerated long-range corrected exchange functional [LC-DFT(2Gau)] to periodic boundary condition systems: CO adsorption on Cu(111) surface;The Journal of Chemical Physics;2020-03-14
4. Importance of van der Waals Descriptions on Accurate Isomerization Energy Calculations of Thiourea Compounds: LCgau-BOP+LRD Method;The Journal of Physical Chemistry A;2019-07-19
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