Lattice constants from semilocal density functionals with zero-point phonon correction
出版年份 2012 全文链接
标题
Lattice constants from semilocal density functionals with zero-point phonon correction
作者
关键词
-
出版物
PHYSICAL REVIEW B
Volume 85, Issue 1, Pages -
出版商
American Physical Society (APS)
发表日期
2012-01-20
DOI
10.1103/physrevb.85.014111
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Improved hybrid functional for solids: The HSEsol functional
- (2011) Laurids Schimka et al. JOURNAL OF CHEMICAL PHYSICS
- Improved lattice constants, surface energies, and CO desorption energies from a semilocal density functional
- (2011) Jianwei Sun et al. PHYSICAL REVIEW B
- Self-consistent meta-generalized gradient approximation within the projector-augmented-wave method
- (2011) Jianwei Sun et al. PHYSICAL REVIEW B
- Long-range van der Waals attraction and alkali-metal lattice constants
- (2010) Jianmin Tao et al. PHYSICAL REVIEW B
- Systematic investigation of a family of gradient-dependent functionals for solids
- (2010) Philipp Haas et al. PHYSICAL REVIEW B
- QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
- (2009) Paolo Giannozzi et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Phonon softening and the phase transition in VN
- (2009) V. I. Ivashchenko et al. PHYSICAL REVIEW B
- Erratum: Tests of a ladder of density functionals for bulk solids and surfaces [Phys. Rev. B69, 075102 (2004)]
- (2009) Viktor N. Staroverov et al. PHYSICAL REVIEW B
- Erratum: Calculation of the lattice constant of solids with semilocal functionals [Phys. Rev. B79, 085104 (2009)]
- (2009) Philipp Haas et al. PHYSICAL REVIEW B
- Calculation of the lattice constant of solids with semilocal functionals
- (2009) Philipp Haas et al. PHYSICAL REVIEW B
- Assessing the performance of recent density functionals for bulk solids
- (2009) Gábor I. Csonka et al. PHYSICAL REVIEW B
- Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry
- (2009) John P. Perdew et al. PHYSICAL REVIEW LETTERS
- Erratum: Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces [Phys. Rev. Lett.100, 136406 (2008)]
- (2009) John P. Perdew et al. PHYSICAL REVIEW LETTERS
- Density functional with full exact exchange, balanced nonlocality of correlation, and constraint satisfaction
- (2008) John P. Perdew et al. PHYSICAL REVIEW A
- Perdewet al.Reply:
- (2008) John P. Perdew et al. PHYSICAL REVIEW LETTERS
- Comment on “Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces”
- (2008) Ann E. Mattsson et al. PHYSICAL REVIEW LETTERS
- Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
- (2008) John P. Perdew et al. PHYSICAL REVIEW LETTERS
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