| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5379620 | Chemical Physics Letters | 2015 | 5 Pages |
Abstract
- Gaussian-based and Erfc short-range potentials for nonlocal exchange interaction.
- The schemes are applied to HF and hybrid density functional theory (DFT) methods.
- Gaussian-based short-range potential yields better similarity to the bare potential.
- Gaussian-based cutoff reproduces the dielectric constant and bandgap properties.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Tomomi Shimazaki, Takahito Nakajima,