Related references
Note: Only part of the references are listed.Construction of exchange-correlation functionals through interpolation between the non-interacting and the strong-correlation limit
Yongxi Zhou et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Gedanken densities and exact constraints in density functional theory
John P. Perdew et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Communication: A non-empirical correlation factor model for the exchange-correlation energy
Jana Precechtelova et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Perspective: Fifty years of density-functional theory in chemical physics
Axel D. Becke
JOURNAL OF CHEMICAL PHYSICS (2014)
Approximating the exchange energy through the nonempirical exchange-factor approach
Helene Antaya et al.
PHYSICAL REVIEW A (2014)
Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics
Roberto Peverati et al.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES (2014)
Density functionals for static, dynamical, and strong correlation
Axel D. Becke
JOURNAL OF CHEMICAL PHYSICS (2013)
Towards nonlocal density functionals by explicit modeling of the exchange-correlation hole in inhomogeneous systems
K. J. H. Giesbertz et al.
PHYSICAL REVIEW A (2013)
Construction of a general semilocal exchange-correlation hole model: Application to nonempirical meta-GGA functionals
Lucian A. Constantin et al.
PHYSICAL REVIEW B (2013)
Modified Becke'05 method of nondynamic correlation in density functional theory with self-consistent implementation
Emil Proynov et al.
CHEMICAL PHYSICS LETTERS (2012)
Increasing the applicability of DFT I: Non-variational correlation corrections from Hartree-Fock DFT for predicting transition states
Prakash Verma et al.
CHEMICAL PHYSICS LETTERS (2012)
Challenges for Density Functional Theory
Aron J. Cohen et al.
CHEMICAL REVIEWS (2012)
Improved self-consistent and resolution-of-identity approximated Becke'05 density functional model of nondynamic electron correlation
Emil Proynov et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Hyper-generalized-gradient functionals constructed from the Lieb-Oxford bound: Implementation via local hybrids and thermochemical assessment
Robin Haunschild et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Perspective on density functional theory
Kieron Burke
JOURNAL OF CHEMICAL PHYSICS (2012)
The two faces of static correlation
Joshua W. Hollett et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Correct Description of the Bond Dissociation Limit without Breaking Spin Symmetry by a Random-Phase-Approximation Correlation Functional
Andreas Hesselmann et al.
PHYSICAL REVIEW LETTERS (2011)
Efficient self-consistent DFT calculation of nondynamic correlation based on the B05 method
Emil Proynov et al.
CHEMICAL PHYSICS LETTERS (2010)
Range-separated local hybrids
Robin Haunschild et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Auxiliary Density Matrix Methods for Hartree-Fock Exchange Calculations
Manuel Guidon et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
Ab initio DFT and its role in electronic structure theory
Rodney J. Bartlett
MOLECULAR PHYSICS (2010)
Efficient, approximate and parallel Hartree-Fock and hybrid DFT calculations. A 'chain-of-spheres' algorithm for the Hartree-Fock exchange
Frank Neese et al.
CHEMICAL PHYSICS (2009)
Locally Range-Separated Hybrids as Linear Combinations of Range-Separated Local Hybrids
Thomas M. Henderson et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2009)
On the self-consistent implementation of general occupied-orbital dependent exchange-correlation functionals with application to the B05 functional
Alexei V. Arbuznikov et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Local hybrids as a perturbation to global hybrid functionals
Robin Haunschild et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Assessment of a density functional with full exact exchange and balanced non-locality of correlation
Carlos A. Jimenez-Hoyos et al.
MOLECULAR PHYSICS (2009)
Nonempirical hyper-generalized-gradient functionals constructed from the Lieb-Oxford bound
Mariana M. Odashima et al.
PHYSICAL REVIEW A (2009)
Generalized-gradient exchange-correlation hole obtained from a correlation factor ansatz
Hilke Bahmann et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Generalized gradient approximation model exchange holes for range-separated hybrids
Thomas M. Henderson et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Self-consistent generalized Kohn-Sham local hybrid functionals of screened exchange: Combining local and range-separated hybridization
Benjamin G. Janesko et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Hartree-Fock orbitals significantly improve the reaction barrier heights predicted by semilocal density functionals
Benjamin G. Janesko et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Range Separation and Local Hybridization in Density Functional Theory
Thomas M. Henderson et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Density functional with full exact exchange, balanced nonlocality of correlation, and constraint satisfaction
John P. Perdew et al.
PHYSICAL REVIEW A (2008)
General performance of density functionals
Sergio Filipe Sousa et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
A unified density-functional treatment of dynamical, nondynamical, and dispersion correlations
Axel D. Becke et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Assessment and formal properties of exchange-correlation functionals constructed from the adiabatic connection
Aron J. Cohen et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Ab initio DFT: Getting the right answer for the right reason
Rodney J. Bartlett et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2006)
Experiment and theory in computations of the he atom ground state
Charles Schwartz
INTERNATIONAL JOURNAL OF MODERN PHYSICS E (2006)
From local hybrid functionals to localized local hybrid potentials: Formalism and thermochemical tests
Alexei V. Arbuznikov et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Self-interaction-free exchange-correlation functional for thermochemistry and kinetics
P Mori-Sánchez et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Design of density functionals by combining the method of constraint satisfaction with parametrization for thermochemistry, thermochemical kinetics, and noncovalent interactions
Y Zhao et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2006)
Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits
JP Perdew et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Benchmark database of barrier heights for heavy atom transfer, nucleophilic substitution, association, and unimolecular reactions and its use to test theoretical methods
Y Zhao et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Real-space post-Hartree-Fock correlation models
AD Becke
JOURNAL OF CHEMICAL PHYSICS (2005)
Small representative benchmarks for thermochernical calculations (vol 107A, pg 8997, 2003)
BJ Lynch et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Small representative benchmarks for thermochemical calculations
BJ Lynch et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
A real-space model of nondynamical correlation
AD Becke
JOURNAL OF CHEMICAL PHYSICS (2003)
Local hybrid functionals
J Jaramillo et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Pair distribution function of the spin-polarized electron gas: A first-principles analytic model for all uniform densities
P Gori-Giorgi et al.
PHYSICAL REVIEW B (2002)
Exact exchange-correlation treatment of dissociated H2 in density functional theory -: art. no. 133004
EJ Baerends
PHYSICAL REVIEW LETTERS (2001)