Effect of Hartree–Fock pseudopotentials on local density functional theory calculations
Journal Article
·
· Physical Chemistry Chemical Physics
- State Key Laboratory of Low-Dimensional Quantum Physics and Collaborative Innovation Center of Quantum Matter, Department of Physics, Tsinghua University, Beijing 100084, China
- Advanced Research Institute of Multidisciplinary Science, Beijing Institute of Technology, Beijing 100081, China
- Beijing Computational Science Research Center, Beijing 100193, China, Department of Physics, Applied Physics and Astronomy
Optimal choice of the element-specific pseudopotential improves the band gap.
- Sponsoring Organization:
- USDOE
- Grant/Contract Number:
- DESC0002623
- OSTI ID:
- 1458601
- Journal Information:
- Physical Chemistry Chemical Physics, Journal Name: Physical Chemistry Chemical Physics Vol. 20 Journal Issue: 27; ISSN 1463-9076
- Publisher:
- Royal Society of Chemistry (RSC)Copyright Statement
- Country of Publication:
- United Kingdom
- Language:
- English
Cited by: 8 works
Citation information provided by
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