(Q52908646)

9 May 2018

title

Dispersion-corrected Møller-Plesset second-order perturbation theory. (English)

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4

Matthias Scheffler

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3

Martin Head-Gordon

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author name string

Alexandre Tkatchenko

series ordinal

1

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Robert A DiStasio

series ordinal

2

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language of work or name

English

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publication date

1 September 2009

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Journal of Chemical Physics

published in

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volume

131

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issue

9

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page(s)

094106

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A Resolution-Of-The-Identity Implementation of the Local Triatomics-In-Molecules Model for Second-Order Møller-Plesset Perturbation Theory with Application to Alanine Tetrapeptide Conformational Energies

cites work

1 reference

The origin of deficiency of the supermolecule second-order Moller-Plesset approach for evaluating interaction energies

21 January 2018

1 reference

Scaled opposite-spin second order Møller-Plesset correlation energy: an economical electronic structure method

21 January 2018

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Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

21 January 2018

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

21 January 2018

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Semiempirical GGA-type density functional constructed with a long-range dispersion correction.

21 January 2018

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

21 January 2018

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Benzene Dimer: High-Level Wave Function and Density Functional Theory Calculations

21 January 2018

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The use of atomic intrinsic polarizabilities in the evaluation of the dispersion energy

21 January 2018

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Scope and limitations of the SCS-MP2 method for stacking and hydrogen bonding interactions

21 January 2018

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Accurate description of van der Waals complexes by density functional theory including empirical corrections

21 January 2018

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Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared withab initioquantum mechanics calculations

21 January 2018

1 reference

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

21 January 2018

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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

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State-of-the-art correlated ab initio potential energy curves for heavy rare gas dimers: Ar2, Kr2, and Xe2

21 January 2018

1 reference

Calculation of intermolecular interactions in the benzene dimer using coupled-cluster and local electron correlation methods

21 January 2018

1 reference

Convergence of the CCSD(T) Correction Term for the Stacked Complex Methyl Adenine−Methyl Thymine: Comparison with Lower-Cost Alternatives

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.3213194

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9 May 2018

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9 May 2018