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

Atomic shell structure from the Single-Exponential Decay Detector

(2014) Piotr de Silva et al.   JOURNAL OF CHEMICAL PHYSICS

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

Self-interaction corrections in density functional theory

(2014) Takao Tsuneda et al.   JOURNAL OF CHEMICAL PHYSICS

Simultaneous Visualization of Covalent and Noncovalent Interactions Using Regions of Density Overlap

(2014) Piotr de Silva et al.   Journal of Chemical Theory and Computation

One-electron self-interaction and the asymptotics of the Kohn–Sham potential: an impaired relation

(2014) Tobias Schmidt et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Extracting Information about Chemical Bonding from Molecular Electron Densities via Single Exponential Decay Detector (SEDD)

(2013) Piotr de Silva et al.   CHIMIA

Revealing the Bonding Pattern from the Molecular Electron Density Using Single Exponential Decay Detector: An Orbital-Free Alternative to the Electron Localization Function

(2012) Piotr de Silva et al.   CHEMPHYSCHEM

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

Seminumerical calculation of the Hartree-Fock exchange matrix: Application to two-component procedures and efficient evaluation of local hybrid density functionals

(2012) Philipp Plessow et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Local hybrids as a perturbation to global hybrid functionals

(2009) Robin Haunschild 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

Self-consistent generalized Kohn-Sham local hybrid functionals of screened exchange: Combining local and range-separated hybridization

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

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