4.7 Review

Long-range corrected double-hybrid density functionals

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

The exchange energy of a uniform electron gas experiencing a new, flexible range separation

John A. Parkhill et al.

CHEMICAL PHYSICS LETTERS (2009)

Article Chemistry, Physical

Improving the accuracy of the nonlocal van der Waals density functional with minimal empiricism

Oleg A. Vydrov et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

Development and assessment of a short-range meta-GGA functional

Erich Goll et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

Long-range-corrected hybrids including random phase approximation correlation

Benjamin G. Janesko et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Review Chemistry, Physical

Non-Covalent Interactions with Dual-Basis Methods: Pairings for Augmented Basis Sets

Ryan P. Steele et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)

Article Multidisciplinary Sciences

Doubly hybrid density functional for accurate descriptions of nonbond interactions, thermochemistry, and thermochemical kinetics

Ying Zhang et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2009)

Article Chemistry, Physical

Optimal operators for Hartree-Fock exchange from long-range corrected hybrid density functionals

Jeng-Da Chai et al.

CHEMICAL PHYSICS LETTERS (2008)

Article Chemistry, Physical

Systematic optimization of long-range corrected hybrid density functionals

Jeng-Da Chai et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Assessment of a middle-range hybrid functional

Thomas M. Henderson et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)

Article Chemistry, Physical

Double-hybrid functionals for thermochemical kinetics

Alex Tarnopolsky et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2008)

Article Chemistry, Physical

Semiempirical double-hybrid density functional with improved description of long-range correlation

Tobias Benighaus et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2008)

Article Chemistry, Physical

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

Jeng-Da Chai et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)

Editorial Material Multidisciplinary Sciences

Insights into current limitations of density functional theory

Aron J. Cohen et al.

SCIENCE (2008)

Article Materials Science, Multidisciplinary

Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond

T. Thonhauser et al.

PHYSICAL REVIEW B (2007)

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)

Review Chemistry, Physical

Non-covalent interactions in biomacromolecules

Jiri Cerny et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

Assessment of a long-range corrected hybrid functional

Oleg A. Vydrov et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Review Chemistry, Physical

R12 methods in explicitly correlated molecular electronic structure theory

Wim Klopper et al.

INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2006)

Article Chemistry, Physical

Self-interaction error of local density functionals for alkali-halide dissociation

AD Dutoi et al.

CHEMICAL PHYSICS LETTERS (2006)

Article Chemistry, Physical

Semiempirical hybrid density functional with perturbative second-order correlation

S Grimme

JOURNAL OF CHEMICAL PHYSICS (2006)

Review Chemistry, Physical

Advances in methods and algorithms in a modern quantum chemistry program package

Yihan Shao et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

Assessment of Gaussian-3 and density-functional theories on the G3/05 test set of experimental energies

LA Curtiss et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Chemistry, Physical

Development and assessment of a new hybrid density functional model for thermochemical kinetics

Y Zhao et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2004)

Article Chemistry, Physical

A long-range correction scheme for generalized-gradient-approximation exchange functionals

H Iikura et al.

JOURNAL OF CHEMICAL PHYSICS (2001)

Article Chemistry, Multidisciplinary

Prediction of dispersion forces: Is there a problem?

JF Dobson et al.

AUSTRALIAN JOURNAL OF CHEMISTRY (2001)

Article Chemistry, Physical

Assessment of Gaussian-3 and density functional theories for a larger experimental test set

LA Curtiss et al.

JOURNAL OF CHEMICAL PHYSICS (2000)