Heyd-Scuseria-Ernzerhof遮蔽クーロンハイブリッド汎関数を用いた周期境界条件(PBC)計算 : アナターゼ型およびルチル型TiO2の電子構造
Read via the Internet
Begin reading now
NDL Digital Collections
Bibliographic Record
You can check the details of this material, its authority (keywords that refer to materials on the same subject, author's name, etc.), etc.
- Material Type
- 記事
- Author/Editor
- 中井浩巳Jochen HeydGustavo E. Scuseria
- Publication, Distribution, etc.
- Publication Date
- 2006
- Publication Date (W3CDTF)
- 2006
- Alternative Title
- Periodic-boundary-condition calculation using Heyd-Scuseria-Ernzerhof screened coulomb hybrid functional : electronic structure of anatase and rutile TiO2
- Periodical title
- The journal of computer chemistry, Japan
- No. or year of volume/issue
- 5(1)
- Volume
- 5(1)