Numerical atomic basis orbitals from H to Kr

Journal article

Creator

T. Ozaki (author) (Search by this author)

T. Ozaki ;

H. Kino (author) (Search by this author)

https://orcid.org/0000-0002-8912-686X

National Institute for Materials Science

H. Kino

Keyword

OpenMX, first-principles calculation, DFT, LCAO, numerical atomic basis, benchmark, molecules, bulks

Date published

2004-05-28

Updated at

2024-01-05 22:11:39 +0900