Dielectric-dependent screened Hartree–Fock exchange potential and Slater-formula with Coulomb-hole interaction for energy band structure calculations

Hybrid functionals applied to perovskites

(2014) Cesare Franchini   JOURNAL OF PHYSICS-CONDENSED MATTER

Range-Separation Density-Fitting Band Structure Calculation with Gaussian Auxiliary Function

(2014) Tomomi Shimazaki et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Self-consistent hybrid functional for condensed systems

(2014) Jonathan H. Skone et al.   PHYSICAL REVIEW B

Hybrid functionals for solids with an optimized Hartree–Fock mixing parameter

(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

Analysis of the Heyd-Scuseria-Ernzerhof density functional parameter space

(2012) Jonathan E. Moussa et al.   JOURNAL OF CHEMICAL PHYSICS

Hybrid density functional study of band alignment in ZnO–GaN and ZnO–(Ga1−xZnx)(N1−xOx)–GaN heterostructures

(2012) Zhenhai Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hybrid density functional theory band structure engineering in hematite

(2011) Zachary D. Pozun et al.   JOURNAL OF CHEMICAL PHYSICS

Implementation of screened hybrid functionals based on the Yukawa potential within the LAPW basis set

(2011) Fabien Tran et al.   PHYSICAL REVIEW B

Density-based mixing parameter for hybrid functionals

(2011) Miguel A. L. Marques et al.   PHYSICAL REVIEW B

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

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

Defect levels through hybrid density functionals: Insights and applications

(2010) Audrius Alkauskas et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Fundamental Gaps in Finite Systems from Eigenvalues of a Generalized Kohn-Sham Method

(2010) Tamar Stein et al.   PHYSICAL REVIEW LETTERS

First principles band structure calculations based on self-consistent screened Hartree–Fock exchange potential

(2009) Tomomi Shimazaki et al.   JOURNAL OF CHEMICAL PHYSICS

A new generalized Kohn–Sham method for fundamental band-gaps in solids

(2009) Helen R. Eisenberg et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Band structure calculations based on screened Fock exchange method

(2008) Tomomi Shimazaki et al.   CHEMICAL PHYSICS LETTERS

Electronic Structure Calculations under Periodic Boundary Conditions Based on the Gaussian and Fourier Transform (GFT) Method

(2008) Tomomi Shimazaki et al.   Journal of Chemical Theory and Computation

Band Offsets at Semiconductor-Oxide Interfaces from Hybrid Density-Functional Calculations

(2008) Audrius Alkauskas et al.   PHYSICAL REVIEW LETTERS