Gauge effects in local hybrid functionals evaluated for weak interactions and the GMTKN30 test set

Local hybrid functionals with orbital-free mixing functions and balanced elimination of self-interaction error

(2015) Piotr de Silva et al.   JOURNAL OF CHEMICAL PHYSICS

Efficient Semi-numerical Implementation of Global and Local Hybrid Functionals for Time-Dependent Density Functional Theory

(2015) Toni M. Maier et al.   Journal of Chemical Theory and Computation

Efficient Self-Consistent Implementation of Local Hybrid Functionals

(2015) Hilke Bahmann et al.   Journal of Chemical Theory and Computation

Local-hybrid functional based on the correlation length

(2014) Erin R. Johnson   JOURNAL OF CHEMICAL PHYSICS

A self-interaction-free local hybrid functional: Accurate binding energies vis-à-vis accurate ionization potentials from Kohn-Sham eigenvalues

(2014) Tobias Schmidt et al.   JOURNAL OF CHEMICAL PHYSICS

Towards improved local hybrid functionals by calibration of exchange-energy densities

(2014) Alexei V. Arbuznikov et al.   JOURNAL OF CHEMICAL PHYSICS

Perspective: Fifty years of density-functional theory in chemical physics

(2014) Axel D. Becke   JOURNAL OF CHEMICAL PHYSICS

Validation of the Direct-COSMO-RS Solvent Model for Diels–Alder Reactions in Aqueous Solution

(2014) Kolja Theilacker et al.   Journal of Chemical Theory and Computation

Density functionals for static, dynamical, and strong correlation

(2013) Axel D. Becke   JOURNAL OF CHEMICAL PHYSICS

Importance of the correlation contribution for local hybrid functionals: Range separation and self-interaction corrections

(2012) Alexei V. Arbuznikov et al.   JOURNAL OF CHEMICAL PHYSICS

Evaluation of a Combination of Local Hybrid Functionals with DFT-D3 Corrections for the Calculation of Thermochemical and Kinetic Data

(2011) Kolja Theilacker et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions

(2011) Lars Goerigk et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Advances in local hybrid exchange-correlation functionals: from thermochemistry to magnetic-resonance parameters and hyperpolarizabilities

(2010) Alexei V. Arbuznikov et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Basis set consistent revision of the S22 test set of noncovalent interaction energies

(2010) Tait Takatani et al.   JOURNAL OF CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals—Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions

(2010) Lars Goerigk et al.   Journal of Chemical Theory and Computation

DSD-BLYP: A General Purpose Double Hybrid Density Functional Including Spin Component Scaling and Dispersion Correction

(2010) Sebastian Kozuch et al.   Journal of Physical Chemistry C

A General Database for Main Group Thermochemistry, Kinetics, and Noncovalent Interactions − Assessment of Common and Reparameterized (meta-)GGA Density Functionals

(2009) Lars Goerigk et al.   Journal of Chemical Theory and Computation

Local Hybrid Functionals with an Explicit Dependence on Spin Polarization†

(2009) Alexei V. Arbuznikov et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Parameterized local hybrid functionals from density-matrix similarity metrics

(2008) Benjamin G. Janesko et al.   JOURNAL OF CHEMICAL PHYSICS

Range Separation and Local Hybridization in Density Functional Theory†

(2008) Thomas M. Henderson et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Density functional with full exact exchange, balanced nonlocality of correlation, and constraint satisfaction

(2008) John P. Perdew et al.   PHYSICAL REVIEW A

Exact-exchange energy density in the gauge of a semilocal density-functional approximation

(2008) Jianmin Tao et al.   PHYSICAL REVIEW A