12 records found.
High-Throughput Computational Screening of Two-Dimensional Semiconductors
- Article
- Creator
- Vei Wang ; Gang Tang ; Ya-Chao Liu ; Ren-Tao Wang ; Hiroshi Mizuseki ; Yoshiyuki Kawazoe ; Jun Nara ; Wen Tong Geng
- Keyword
- DFT, 2D Materials
- Date published
- 2022-12-22
- Updated at
- 2023-12-25 15:17:40 +0900
Numerical atomic basis orbitals from H to Kr
- Article
- Creator
-
T. Ozaki
;
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