(Q51851596)

14 April 2018

title

Linear-scaling atomic orbital-based second-order Møller-Plesset perturbation theory by rigorous integral screening criteria. (English)

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Bernd Doser

1

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Daniel S Lambrecht

series ordinal

2

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Jörg Kussmann

series ordinal

3

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Christian Ochsenfeld

series ordinal

4

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language of work or name

English

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publication date

1 February 2009

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Journal of Chemical Physics

published in

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volume

130

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issue

6

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page(s)

064107

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General performance of density functionals

cites work

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Fourth‐order Mo/ller–Plessett perturbation theory in the local correlation treatment. I. Method

21 January 2018

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Tighter multipole-based integral estimates and parallel implementation of linear-scaling AO-MP2 theory.

21 January 2018

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Extension of linear-scaling divide-and-conquer-based correlation method to coupled cluster theory with singles and doubles excitations

21 January 2018

1 reference

Use of approximate integrals in ab initio theory. An application in MP2 energy calculations

21 January 2018

1 reference

Quartic-Scaling Analytical Energy Gradient of Scaled Opposite-Spin Second-Order Møller-Plesset Perturbation Theory

21 January 2018

1 reference

Fast evaluation of scaled opposite spin second-order Møller-Plesset correlation energies using auxiliary basis expansions and exploiting sparsity

21 January 2018

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Potential energy surface discontinuities in local correlation methods

21 January 2018

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A local correlation model that yields intrinsically smooth potential-energy surfaces

21 January 2018

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A near linear-scaling smooth local coupled cluster algorithm for electronic structure

21 January 2018

1 reference

The limits of local correlation theory: electronic delocalization and chemically smooth potential energy surfaces.

21 January 2018

1 reference

An atomic orbital-based reformulation of energy gradients in second-order Møller-Plesset perturbation theory.

21 January 2018

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

21 January 2018

1 reference

Fast algorithms for classical physics.

21 January 2018

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Efficient linear-scaling calculation of response properties: density matrix-based Laplace-transformed coupled-perturbed self-consistent field theory.

21 January 2018

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

21 January 2018

1 reference

On the use of the Laplace transform in local correlation methods

21 January 2018

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

21 January 2018

1 reference

Density Functionals with Broad Applicability in Chemistry

21 January 2018

1 reference

Relative Energy Computations with Approximate Density Functional Theory—A Caveat!

21 January 2018

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

21 January 2018

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Electronic structure of atomically resolved carbon nanotubes

21 January 2018

1 reference

Fast linear scaling second-order Møller-Plesset perturbation theory (MP2) using local and density fitting approximations

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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21 January 2018

Identifiers

DOI

10.1063/1.3072903

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