(Q56776312)

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Fast assembly of the Coulomb matrix: A quantum chemical tree code

article by Matt Challacombe et al published 22 March 1996 in Journal of Chemical Physics

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Fast assembly of the Coulomb matrix: A quantum chemical tree code (English)

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Matt Challacombe

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1

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Eric Schwegler

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2

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Jan Almlöf

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3

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English

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publication date

22 March 1996

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published in

Journal of Chemical Physics

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volume

104

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issue

12

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page(s)

4685-4698

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New Developments in Molecular Orbital Theory

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21 January 2018

The Molecular Orbital Theory of Chemical Valency. VIII. A Method of Calculating Ionization Potentials

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21 January 2018

Quantum Theory of Many-Particle Systems. II. Study of the Ordinary Hartree-Fock Approximation

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21 January 2018

Electronic Wave Functions. I. A General Method of Calculation for the Stationary States of Any Molecular System

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21 January 2018

Efficient recursive computation of molecular integrals over Cartesian Gaussian functions

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The prism algorithm for two-electron integrals

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Molecular integrals Over Gaussian Basis Functions

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Density-functional thermochemistry. III. The role of exact exchange

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A fast algorithm for particle simulations

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A decomposition of multidimensional point sets with applications to k-nearest-neighbors and n-body potential fields

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21 January 2018

One- and two-electron integrals over cartesian gaussian functions

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A hierarchical O(N log N) force-calculation algorithm

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An efficient method of implementing the horizontal recurrence relation in the evaluation of electron repulsion integrals using Cartesian Gaussian functios

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21 January 2018

The reduced multiplication scheme of the Rys-Gauss quadrature for 1st order integral derivatives

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21 January 2018

Performance characteristics of tree codes

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A comparison of the geometrical sequence formula and the well-tempered formulas for generating GTO basis orbital exponents

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A Class of Reciprocal Functions

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DOI

10.1063/1.471163

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(Q56776312)

Fast assembly of the Coulomb matrix: A quantum chemical tree code

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