(Q59464409)

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On the resolution of identity Coulomb energy approximation in density functional theory

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On the resolution of identity Coulomb energy approximation in density functional theory (English)

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main subject

density functional theory

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L Gagliardi

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author name string

C.-K Skylaris

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1

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N.C Handy

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3

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A.G Ioannou

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4

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S Spencer

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5

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A Willetts

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6

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publication date

April 2000

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published in

Computational and Theoretical Chemistry

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volume

501-502

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page(s)

229-239

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cites work

A Relativistic Density Functional Study on the Uranium Hexafluoride and Plutonium Hexafluoride Monomer and Dimer Species

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One- and two-electron integrals over cartesian gaussian functions

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Self‐Consistent Molecular‐Orbital Methods. I. Use of Gaussian Expansions of Slater‐Type Atomic Orbitals

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

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Density-functional exchange-energy approximation with correct asymptotic behavior

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Improved radial grids for quadrature in molecular density‐functional calculations

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Gold Complexes with Selenium Ligands, IV(1) Preparation, Crystal Structures and Reactions of Phosphine(selenourea)gold(I) Complexes

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DOI

10.1016/S0166-1280(99)00434-0

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(Q59464409)

On the resolution of identity Coulomb energy approximation in density functional theory

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