Quadratically convergent algorithm for fractional occupation numbers in density functional theory
Cancès, Eric; Kudin, Konstantin N.; Scuseria, Gustavo E.; Turinici, Gabriel
- 期刊名称The Journal of Chemical Physics
- 作者Cancès, Eric; Kudin, Konstantin N.; Scuseria, Gustavo E.; Turinici, Gabriel
- 卷第118卷
- 期第12期
- 印刷ISSN0021-9606
- 文件大小344.44KB
- 发表时间2003
- DOI10.1063/1.1555125