Related references
Note: Only part of the references are listed.Electronic Structure Calculations under Periodic Boundary Conditions Based on the Gaussian and Fourier Transform (GFT) Method
Tomomi Shimazaki et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Band structure calculations based on screened Fock exchange method
Tomomi Shimazaki et al.
CHEMICAL PHYSICS LETTERS (2008)
Accurate solid-state band gaps via screened hybrid electronic structure calculations
Edward N. Brothers et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Dielectric properties and excitons for extended systems from hybrid functionals
Joachim Paier et al.
PHYSICAL REVIEW B (2008)
Band offsets at semiconductor-oxide interfaces from hybrid density-functional calculations
Audrius Alkauskas et al.
PHYSICAL REVIEW LETTERS (2008)
The importance of middle-range Hartree-Fock-type exchange for hybrid density functionals
Thomas M. Henderson et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Efficient evaluation of analytic vibrational frequencies in Hartree-Fock and density functional theory for periodic nonconducting systems
Artur F. Izmaylov et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Fast local-MP2 method with density-fitting for crystals.: I.: Theory and algorithms
Lorenzo Maschio et al.
PHYSICAL REVIEW B (2007)
Influence of the exchange screening parameter on the performance of screened hybrid functionals
Aliaksandr V. Krukau et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals
Oleg A. Vydrov et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Screened hybrid density functionals applied to solids -: art. no. 154709
J Paier et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional
J Heyd et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
The Perdew-Burke-Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set
J Paier et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Hybrid functionals based on a screened Coulomb potential
J Heyd et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Spectroscopic calibration of modern density functional methods using [CuCl4]2-
RK Szilagyi et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2002)
On the prediction of band gaps from hybrid functional theory
J Muscat et al.
CHEMICAL PHYSICS LETTERS (2001)
Linear-scaling density-functional theory with Gaussian orbitals and periodic boundary conditions: Efficient evaluation of energy and forces via the fast multipole method
KN Kudin et al.
PHYSICAL REVIEW B (2000)
Share Paper
