(Q34179861)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22380030%20AND%20SRC:MED&resulttype=core&format=json

24 January 2020

title

Basis set convergence of molecular correlation energy differences within the random phase approximation (English)

1 reference

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24 January 2020

2

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24 January 2020

author name string

Henk Eshuis

series ordinal

1

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24 January 2020

language of work or name

English

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publication date

1 February 2012

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22380030%20AND%20SRC:MED&resulttype=core&format=json

Journal of Chemical Physics

24 January 2020

published in

1 reference

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24 January 2020

volume

136

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24 January 2020

issue

8

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24 January 2020

page(s)

084105

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Random-phase-approximation-based correlation energy functionals: benchmark results for atoms.

24 January 2020

cites work

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

21 January 2018

1 reference

Fast computation of molecular random phase approximation correlation energies using resolution of the identity and imaginary frequency integration.

21 January 2018

1 reference

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

21 January 2018

1 reference

Beyond the random-phase approximation for the electron correlation energy: the importance of single excitations.

21 January 2018

1 reference

Generalized Gradient Approximation Made Simple

21 January 2018

1 reference

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

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

21 January 2018

1 reference

On the equivalence of ring-coupled cluster and adiabatic connection fluctuation-dissipation theorem random phase approximation correlation energy expressions.

21 January 2018

1 reference

RI-MP2: first derivatives and global consistency

21 January 2018

1 reference

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

21 January 2018

1 reference

A General Database for Main Group Thermochemistry, Kinetics, and Noncovalent Interactions - Assessment of Common and Reparameterized (meta-)GGA Density Functionals.

21 January 2018

1 reference

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

21 January 2018

1 reference

How to Compute Isomerization Energies of Organic Molecules with Quantum Chemical Methods

21 January 2018

1 reference

The importance of inter- and intramolecular van der Waals interactions in organic reactions: the dimerization of anthracene revisited

21 January 2018

1 reference

Performance of ab initio and density functional methods for conformational equilibria of C(n)H(2n+2) alkane isomers (n = 4-8).

21 January 2018

1 reference

Assessment of the MP2 method, along with several basis sets, for the computation of interaction energies of biologically relevant hydrogen bonded and dispersion bound complexes.

21 January 2018

1 reference

RI-MP2: optimized auxiliary basis sets and demonstration of efficiency

21 January 2018

1 reference

A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions

21 January 2018

1 reference

Electron correlation methods based on the random phase approximation

21 January 2018

1 reference

A Parameter-Free Density Functional That Works for Noncovalent Interactions

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

10.1063/1.3687005

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22380030%20AND%20SRC:MED&resulttype=core&format=json

24 January 2020

1 reference