标题
Tempering stochastic density functional theory
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 155, Issue 20, Pages 204105
出版商
AIP Publishing
发表日期
2021-10-18
DOI
10.1063/5.0063266
参考文献
相关参考文献
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- (2020) Eitam Arnon et al. JOURNAL OF CHEMICAL PHYSICS
- Overlapped embedded fragment stochastic density functional theory for covalently-bonded materials
- (2019) Ming Chen et al. JOURNAL OF CHEMICAL PHYSICS
- Stochastic density functional theory
- (2019) Marcel D. Fabian et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Energy window stochastic density functional theory
- (2019) Ming Chen et al. JOURNAL OF CHEMICAL PHYSICS
- High-accuracy large-scale DFT calculations using localized orbitals in complex electronic systems: the case of graphene–metal interfaces
- (2018) Carlos Romero-Muñiz et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Modelling realistic TiO2 nanospheres: A benchmark study of SCC-DFTB against hybrid DFT
- (2017) Daniele Selli et al. JOURNAL OF CHEMICAL PHYSICS
- Equilibrium configurations of large nanostructures using the embedded saturated-fragments stochastic density functional theory
- (2017) Eitam Arnon et al. JOURNAL OF CHEMICAL PHYSICS
- Stochastic Self-Consistent Second-Order Green’s Function Method for Correlation Energies of Large Electronic Systems
- (2017) Daniel Neuhauser et al. Journal of Chemical Theory and Computation
- Density functional theory: Its origins, rise to prominence, and future
- (2015) R. O. Jones REVIEWS OF MODERN PHYSICS
- Communication: Embedded fragment stochastic density functional theory
- (2014) Daniel Neuhauser et al. JOURNAL OF CHEMICAL PHYSICS
- First-principles calculations for point defects in solids
- (2014) Christoph Freysoldt et al. REVIEWS OF MODERN PHYSICS
- Self-Averaging Stochastic Kohn-Sham Density-Functional Theory
- (2013) Roi Baer et al. PHYSICAL REVIEW LETTERS
- Efficient low-order scaling method for large-scale electronic structure calculations with localized basis functions
- (2010) Taisuke Ozaki PHYSICAL REVIEW B
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