On the self-consistent implementation of general occupied-orbital dependent exchange-correlation functionals with application to the B05 functional

Article Chemistry, Physical

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)

添加到收藏夹

Article Chemistry, Physical

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

Alexei V. Arbuznikov et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

添加到收藏夹

Article Chemistry, Physical

Parameterized local hybrid functionals from density-matrix similarity metrics

Benjamin G. Janesko et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

添加到收藏夹

Review Chemistry, Physical

Range Separation and Local Hybridization in Density Functional Theory

Thomas M. Henderson et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2008)

添加到收藏夹

Article Optics

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

John P. Perdew et al.

PHYSICAL REVIEW A (2008)

添加到收藏夹

Article Optics

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

Jianmin Tao et al.

PHYSICAL REVIEW A (2008)

添加到收藏夹

Review Physics, Multidisciplinary

Orbital-dependent density functionals: Theory and applications

Stephan Kummel et al.

REVIEWS OF MODERN PHYSICS (2008)

添加到收藏夹

Article Chemistry, Physical

Local hybrid functionals: An assessment for thermochemical kinetics

Martin Kaupp et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

添加到收藏夹

Article Chemistry, Physical

Numerically stable optimized effective potential method with balanced Gaussian basis sets

Andreas Hesselmann et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

添加到收藏夹

Article Chemistry, Physical

Assessment and formal properties of exchange-correlation functionals constructed from the adiabatic connection

Aron J. Cohen et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

添加到收藏夹

Article Chemistry, Physical

Nuclear shielding constants from localized local hybrid exchange-correlation potentials

Alexei V. Arbuznikov et al.

CHEMICAL PHYSICS LETTERS (2007)

添加到收藏夹

Article Chemistry, Physical

Double-hybrid density functionals with long-range dispersion corrections: higher accuracy and extended applicability

Tobias Schwabe et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)

添加到收藏夹

Article Chemistry, Physical

Local hybrid exchange-correlation functionals based on the dimensionless density gradient

Alexei V. Arbuznikov et al.

CHEMICAL PHYSICS LETTERS (2007)

添加到收藏夹

Article Chemistry, Physical

On the universality of the long-/short-range separation in multiconfigurational density-functional theory

Emmanuel Fromager et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

添加到收藏夹

Article Chemistry, Physical

A thermochemically competitive local hybrid functional without gradient corrections

Hilke Bahmann et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

添加到收藏夹

Article Chemistry, Physical

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)

添加到收藏夹

Article Chemistry, Physical

From local hybrid functionals to localized local hybrid potentials: Formalism and thermochemical tests

Alexei V. Arbuznikov et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

添加到收藏夹

Article Chemistry, Physical

Normalization of the effective exchange hole in Becke's nondynamical correlation model: Closed-form analytic representation

AV Arbuznikov et al.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2006)

添加到收藏夹

Article Chemistry, Physical

Self-interaction-free exchange-correlation functional for thermochemistry and kinetics

P Mori-Sánchez et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

添加到收藏夹

Article Chemistry, Physical

Assessment of a Coulomb-attenuated exchange-correlation energy functional

MJG Peach et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)

添加到收藏夹

Article Chemistry, Physical

Hybrid functional with separated range

IC Gerber et al.

CHEMICAL PHYSICS LETTERS (2005)

添加到收藏夹

Article Chemistry, Physical