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

Local-hybrid functional based on the correlation length

(2014) Erin R. Johnson   JOURNAL OF CHEMICAL PHYSICS

Density functionals for static, dynamical, and strong correlation

(2013) Axel D. Becke   JOURNAL OF CHEMICAL PHYSICS

Laplacian-based models for the exchange energy

(2012) A. C. Cancio et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

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

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

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

Local Hybrid Functionals with an Explicit Dependence on Spin Polarization†

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

What can we learn from the adiabatic connection formalism about local hybrid functionals?

(2008) Alexei V. Arbuznikov et al.   JOURNAL OF CHEMICAL PHYSICS

Parameterized local hybrid functionals from density-matrix similarity metrics

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