标题
Self-consistent hybrid functional for condensed systems
作者
关键词
-
出版物
PHYSICAL REVIEW B
Volume 89, Issue 19, Pages -
出版商
American Physical Society (APS)
发表日期
2014-05-10
DOI
10.1103/physrevb.89.195112
参考文献
相关参考文献
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- (2013) David Koller et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Gap renormalization of molecular crystals from density-functional theory
- (2013) Sivan Refaely-Abramson et al. PHYSICAL REVIEW B
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- (2013) T. Anh Pham et al. PHYSICAL REVIEW B
- Optical properties of tungsten trioxide from first-principles calculations
- (2013) Yuan Ping et al. PHYSICAL REVIEW B
- Analysis of the Heyd-Scuseria-Ernzerhof density functional parameter space
- (2012) Jonathan E. Moussa et al. JOURNAL OF CHEMICAL PHYSICS
- Efficient Computation of Hartree–Fock Exchange Using Recursive Subspace Bisection
- (2012) François Gygi et al. Journal of Chemical Theory and Computation
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- (2012) José C. Conesa Journal of Physical Chemistry C
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- (2012) Huy-Viet Nguyen et al. PHYSICAL REVIEW B
- Hybrid density functional theory band structure engineering in hematite
- (2011) Zachary D. Pozun et al. JOURNAL OF CHEMICAL PHYSICS
- Improved hybrid functional for solids: The HSEsol functional
- (2011) Laurids Schimka et al. JOURNAL OF CHEMICAL PHYSICS
- Density-based mixing parameter for hybrid functionals
- (2011) Miguel A. L. Marques et al. PHYSICAL REVIEW B
- Charge generation layers comprising transition metal-oxide/organic interfaces: Electronic structure and charge generation mechanism
- (2010) J. Meyer et al. APPLIED PHYSICS LETTERS
- Derivative studies in hartree-fock and møller-plesset theories
- (2010) J. A. Pople et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Energy band structure calculations based on screened Hartree–Fock exchange method: Si, AlP, AlAs, GaP, and GaAs
- (2010) Tomomi Shimazaki et al. JOURNAL OF CHEMICAL PHYSICS
- Property-optimized Gaussian basis sets for molecular response calculations
- (2010) Dmitrij Rappoport et al. JOURNAL OF CHEMICAL PHYSICS
- A hybrid functional scheme for defect levels and band alignments at semiconductor-oxide interfaces
- (2010) Peter Broqvist et al. PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE
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- (2010) Audrius Alkauskas et al. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
- Calculation of the static electronic second hyperpolarizability or χ(3) tensor of three-dimensional periodic compounds with a local basis set
- (2009) Roberto Orlando et al. JOURNAL OF CHEMICAL PHYSICS
- First principles band structure calculations based on self-consistent screened Hartree–Fock exchange potential
- (2009) Tomomi Shimazaki et al. JOURNAL OF CHEMICAL PHYSICS
- Long-Range-Corrected Hybrids Based on a New Model Exchange Hole
- (2009) Elon Weintraub et al. Journal of Chemical Theory and Computation
- QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
- (2009) Paolo Giannozzi et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Order-Nimplementation of exact exchange in extended insulating systems
- (2009) Xifan Wu et al. PHYSICAL REVIEW B
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- (2009) François Gygi PHYSICAL REVIEW LETTERS
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- (2008) Tomomi Shimazaki et al. CHEMICAL PHYSICS LETTERS
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- (2008) Joachim Paier et al. PHYSICAL REVIEW B
- Band Offsets at Semiconductor-Oxide Interfaces from Hybrid Density-Functional Calculations
- (2008) Audrius Alkauskas et al. PHYSICAL REVIEW LETTERS
- Orbital-dependent density functionals: Theory and applications
- (2008) Stephan Kümmel et al. REVIEWS OF MODERN PHYSICS
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