Taking Advantage of a Systematic Energy Non-linearity Error in Density Functional Theory for the Calculation of Electronic Energy Levels-Reference-Cited by-同舟云学术

Taking Advantage of a Systematic Energy Non-linearity Error in Density Functional Theory for the Calculation of Electronic Energy Levels

Author:

Chan Bun¹^ORCID,Dawson William²^ORCID,Nakajima Takahito²^ORCID,Hirao Kimihiko²³^ORCID

Affiliation:

1. Graduate School of Engineering, Nagasaki University, Bunkyo 1-14, Nagasaki 852-8521, Japan

2. RIKEN Center for Computational Science, 7-1-26, Minatojima-minami-machi, Chuo-ku, Kobe 650-0047, Japan

3. Fukui Institute for Fundamental Chemistry, Kyoto University, Takano, Nishihiraki-cho 34-4, Sakyo-ku, Kyoto 606-8103, Japan

Funder

Japan Society for the Promotion of Science

Tokyo Ohka Foundation for The Promotion of Science and Technology

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

Reference67 articles.

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