(Q33621590)

28 July 2017

title

Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions (English)

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28 July 2017

Wuming Zhu

1

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28 July 2017

Julien Toulouse

series ordinal

2

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28 July 2017

Andreas Savin

series ordinal

3

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28 July 2017

János G Angyán

series ordinal

4

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28 July 2017

language of work or name

English

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publication date

1 June 2010

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Journal of Chemical Physics

28 July 2017

published in

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28 July 2017

volume

132

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28 July 2017

issue

24

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28 July 2017

page(s)

244108

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Inhomogeneous Electron Gas

28 July 2017

cites work

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21 January 2018

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Dispersion corrections to density functionals for water aromatic interactions

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Optimization of Effective Atom Centered Potentials for London Dispersion Forces in Density Functional Theory

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Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions

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Long-range corrected double-hybrid density functionals.

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Density-functional theory-symmetry-adapted intermolecular perturbation theory with density fitting: a new efficient method to study intermolecular interaction energies

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21 January 2018

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Fluctuation-dissipation theorem density-functional theory

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1 reference

Developing the random phase approximation into a practical post-Kohn-Sham correlation model.

21 January 2018

1 reference

The ground state correlation energy of the random phase approximation from a ring coupled cluster doubles approach

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Ab initio calculation of van der Waals bonded molecular crystals.

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1 reference

Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation.

21 January 2018

1 reference

Long-range-corrected hybrids including random phase approximation correlation

21 January 2018

1 reference

Long-range-corrected hybrid density functionals including random phase approximation correlation: application to noncovalent interactions

21 January 2018

1 reference

The role of the reference state in long-range random phase approximation correlation

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

Generalized Gradient Approximation Made Simple

21 January 2018

1 reference

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

21 January 2018

1 reference

The X3LYP extended density functional accurately describes H-bonding but fails completely for stacking

21 January 2018

1 reference

Basis set consistent revision of the S22 test set of noncovalent interaction energies.

21 January 2018

1 reference

Hybrid functionals including random phase approximation correlation and second-order screened exchange

21 January 2018

1 reference

Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment

21 January 2018

1 reference

Molecular tests of the random phase approximation to the exchange-correlation energy functional

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

10.1063/1.3431616

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28 July 2017

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