(Q45983203)

18 December 2017

title

Long-range corrected double-hybrid density functionals. (English)

1 reference

18 December 2017

Jeng-Da Chai

1

0 references

Martin Head-Gordon

series ordinal

2

object named as

Martin Head-Gordon

1 reference

18 December 2017

language of work or name

English

0 references

publication date

1 November 2009

1 reference

18 December 2017

Journal of Chemical Physics

published in

1 reference

18 December 2017

volume

131

1 reference

18 December 2017

issue

17

1 reference

18 December 2017

page(s)

174105

1 reference

18 December 2017

Inhomogeneous Electron Gas

cites work

1 reference

Self-Consistent Equations Including Exchange and Correlation Effects

21 January 2018

1 reference

Density-functional thermochemistry. III. The role of exact exchange

21 January 2018

1 reference

Insights into current limitations of density functional theory.

21 January 2018

1 reference

Systematic optimization of long-range corrected hybrid density functionals

21 January 2018

1 reference

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

21 January 2018

1 reference

Local and density fitting approximations within the short-range/long-range hybrid scheme: application to large non-bonded complexes

21 January 2018

1 reference

Non-covalent interactions in biomacromolecules.

21 January 2018

1 reference

Long-range-corrected hybrids including random phase approximation correlation

21 January 2018

1 reference

Semiempirical hybrid density functional with perturbative second-order correlation

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

Note on an Approximation Treatment for Many-Electron Systems

21 January 2018

1 reference

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

21 January 2018

1 reference

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

21 January 2018

1 reference

A fifth-order perturbation comparison of electron correlation theories

21 January 2018

1 reference

Orbital-optimized opposite-spin scaled second-order correlation: an economical method to improve the description of open-shell molecules.

21 January 2018

1 reference

Dual-basis second-order Moller-Plesset perturbation theory: A reduced-cost reference for correlation calculations

21 January 2018

1 reference

An improved algorithm for analytical gradient evaluation in resolution-of-the-identity second-order Møller-Plesset perturbation theory: Application to alanine tetrapeptide conformational analysis

21 January 2018

1 reference

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

21 January 2018

1 reference

A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples

21 January 2018

1 reference

Basis-set convergence in correlated calculations on Ne, N2, and H2O

21 January 2018

1 reference

Development and Assessment of a New Hybrid Density Functional Model for Thermochemical Kinetics

21 January 2018

1 reference

Benchmark Database of Barrier Heights for Heavy Atom Transfer, Nucleophilic Substitution, Association, and Unimolecular Reactions and its Use to Test Theoretical Methods

21 January 2018

1 reference

Design of Density Functionals That Are Broadly Accurate for Thermochemistry, Thermochemical Kinetics, and Nonbonded Interactions

21 January 2018

1 reference

Double-Hybrid Functionals for Thermochemical Kinetics

21 January 2018

1 reference

Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.3244209

1 reference

18 December 2017

1 reference

18 December 2017