(Q52906803)

9 May 2018

title

Resolution of identity approximation for the Coulomb term in molecular and periodic systems. (English)

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2

Marek Sierka

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author name string

Asbjörn M Burow

series ordinal

1

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Fawzi Mohamed

series ordinal

3

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language of work or name

English

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publication date

1 December 2009

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Journal of Chemical Physics

published in

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volume

131

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issue

21

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page(s)

214101

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Die Berechnung optischer und elektrostatischer Gitterpotentiale

cites work

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Revisiting infinite lattice sums with the periodic fast multipole method.

21 January 2018

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Linear scaling computation of the Fock matrix. VII. Periodic density functional theory at the Gamma point.

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Efficient recursive computation of molecular integrals over Cartesian Gaussian functions

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Resolution of the identity atomic orbital Laplace transformed second order Møller-Plesset theory for nonconducting periodic systems.

21 January 2018

1 reference

Linear scaling density fitting.

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Auxiliary basis expansions for large-scale electronic structure calculations

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Density fitting of two-electron integrals in extended systems with translational periodicity: the Coulomb problem.

21 January 2018

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Periodic local MP2 method for the study of electronic correlation in crystals: Theory and preliminary applications

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Poisson equation in the Kohn-Sham Coulomb problem.

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Density-functional exchange-energy approximation with correct asymptotic behavior

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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

21 January 2018

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Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy.

21 January 2018

1 reference

Accurate Coulomb-fitting basis sets for H to Rn.

21 January 2018

1 reference

Projector augmented-wave method

21 January 2018

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

21 January 2018

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Large-scale correlated electronic structure calculations: the RI-MP2 method on parallel computers

21 January 2018

1 reference

Fast local-MP2 method with density-fitting for crystals. I. Theory and algorithms

21 January 2018

1 reference

Fast local-MP2 method with density-fitting for crystals. II. Test calculations and application to the carbon dioxide crystal

21 January 2018

1 reference

Fitting of local densities in periodic systems

21 January 2018

1 reference

The Poisson equation in density fitting for the Kohn-Sham Coulomb problem

21 January 2018

1 reference

Coupled‐cluster theory employing approximate integrals: An approach to avoid the input/output and storage bottlenecks

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.3267858

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9 May 2018