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

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

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована в березні 1996 (uk) im März 1996 veröffentlichter wissenschaftlicher Artikel (de) article by Matt Challacombe et al published 22 March 1996 in Journal of Chemical Physics (en)
publication date	wds:Q56776312-5E7CAEB4-33B7-4C3C-B728-CA6A7DA9336B
publication date	1996-03-22 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q56776312-F5DAE717-B2FF-4697-BBB5-1504961C18EE
language of work or name	English
cites work	wds:Q56776312-16288E65-7E32-4FDD-ABCF-DF84F4645124 wds:Q56776312-1B6569F7-0D66-450D-9949-0EE4A112AFE3 wds:Q56776312-33B424A9-D224-4E2B-B808-72131BFFAD4E wds:Q56776312-3D53720E-337F-4817-8C29-4E2076C98110 wds:Q56776312-418224DB-4AED-4266-8F07-38776C5D84E8 wds:Q56776312-72498B63-FEE9-4207-B897-84C87BA9EE3C wds:Q56776312-7B622A7C-3C4D-4E01-8774-74A8B3F281B7 wds:Q56776312-83E5D7F0-5254-4513-A36A-9F321BE4A08C wds:Q56776312-9BA511D0-C92E-4DDD-83B7-D93A41813E86 wds:Q56776312-B113DEF0-4EC7-41AA-B2CA-DB0B8142A6BE wds:Q56776312-B4AFB74F-DFE1-475D-9014-FA5DFB88FC76 wds:Q56776312-BAF83DB6-D142-4309-BDC2-C8D067E57AEA wds:Q56776312-D7A3E02B-EE36-4DEB-8CE5-9DD5B8A799AD wds:Q56776312-E1EFAC6B-8D80-4E36-A668-A4C14D137505 wds:Q56776312-E5199890-9437-4371-AC54-75D80842BF84 wds:Q56776312-EFED41F6-5DD5-4564-8021-B6C1AA143275 wds:Q56776312-FCA7DEB4-D705-491E-B67E-228CE1E8CED7
cites work	Density-functional thermochemistry. III. The role of exact exchange A fast algorithm for particle simulations New Developments in Molecular Orbital Theory Electronic Wave Functions. I. A General Method of Calculation for the Stationary States of Any Molecular System One- and two-electron integrals over cartesian gaussian functions A comparison of the geometrical sequence formula and the well-tempered formulas for generating GTO basis orbital exponents Quantum Theory of Many-Particle Systems. II. Study of the Ordinary Hartree-Fock Approximation A hierarchical O(N log N) force-calculation algorithm Molecular integrals Over Gaussian Basis Functions Efficient recursive computation of molecular integrals over Cartesian Gaussian functions The prism algorithm for two-electron integrals The reduced multiplication scheme of the Rys-Gauss quadrature for 1st order integral derivatives The Molecular Orbital Theory of Chemical Valency. VIII. A Method of Calculating Ionization Potentials Performance characteristics of tree codes An efficient method of implementing the horizontal recurrence relation in the evaluation of electron repulsion integrals using Cartesian Gaussian functios A Class of Reciprocal Functions A decomposition of multidimensional point sets with applications to k-nearest-neighbors and n-body potential fields
author name string	wds:Q56776312-92973879-5F8A-4323-A7D5-FF679CCD0EF1 wds:Q56776312-D07A149F-12CD-4512-9DE7-E353A7445872 wds:Q56776312-FED9FE1D-5100-4D64-A1BC-2A57E2B3FF30
author name string	Eric Schwegler Matt Challacombe Jan Almlöf
rdfs:label	Fast assembly of the Coulomb matrix: A quantum chemical tree code (en) Fast assembly of the Coulomb matrix: A quantum chemical tree code (nl)
skos:prefLabel	Fast assembly of the Coulomb matrix: A quantum chemical tree code (en) Fast assembly of the Coulomb matrix: A quantum chemical tree code (nl)
name	Fast assembly of the Coulomb matrix: A quantum chemical tree code (en) Fast assembly of the Coulomb matrix: A quantum chemical tree code (nl)
title	wds:Q56776312-AFB447A0-67F9-4A34-BD02-FCB33F3D4D21
title	Fast assembly of the Coulomb matrix: A quantum chemical tree code (en)
page(s)	wds:Q56776312-797A90DE-26F0-457C-9F94-6CDDF39B489C
page(s)	4685-4698
instance of	wds:Q56776312-91C9A84D-BEE4-4CF5-BAFF-17A9D0464B3E
instance of	scholarly article
published in	wds:Q56776312-6B50EA78-E637-45C3-806D-AC17656E0C82
published in	Journal of Chemical Physics
issue	wds:Q56776312-1B03D6A5-2704-4DAC-883F-FF958715ACF2
volume	wds:Q56776312-E232C0DB-6C6E-4409-99BB-E8757E9D0D52
issue	12
volume	104
DOI	wds:Q56776312-39A3EA98-F196-43BA-ABA4-65D377CC1AF7
DOI	http://dx.doi.org/10.1063/1.471163
DOI	10.1063/1.471163
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q56776312
is cites work of	Further analysis and comparative study of intermolecular interactions using dimers from the S22 database Efficient first-principles electronic dynamics. Recent advances and perspectives in four-component Dirac-Kohn-Sham calculations. Electron density fitting for the Coulomb problem in relativistic density-functional theory. Linear scaling computation of the Hartree–Fock exchange matrix Asymptotic expansion of two-electron integrals and its application to Coulomb and exchange lattice sums in metallic, semimetallic, and nonmetallic crystals Linear scaling computation of the Fock matrix. IV. Multipole accelerated formation of the exchange matrix Hartree-Fock calculations with linearly scaling memory usage Parallel algorithm for the computation of the Hartree-Fock exchange matrix: gas phase and periodic parallel ONX. Linear scaling computation of the Fock matrix. VII. Parallel computation of the Coulomb matrix. Density matrix purification with rigorous error control. Solution of Poisson's equation for finite systems using plane-wave methods Linear scaling computation of the Fock matrix Linear scaling computation of the Fock matrix. V. Hierarchical Cubature for numerical integration of the exchange-correlation matrix Bringing about matrix sparsity in linear-scaling electronic structure calculations. Linear scaling electronic structure calculations with numerical atomic basis set A density matrix-based method for the linear-scaling calculation of dynamic second- and third-order properties at the Hartree-Fock and Kohn-Sham density functional theory levels. Linear-scaling method for calculating nuclear magnetic resonance chemical shifts using gauge-including atomic orbitals within Hartree-Fock and density-functional theory. Efficient computation of the exchange-correlation contribution in the density functional theory through multiresolution. A mathematical and computational review of Hartree–Fock SCF methods in quantum chemistry Low-memory iterative density fitting. Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Analytical gradients. Poisson-transformed density fitting in relativistic four-component Dirac-Kohn-Sham theory. A reduced-scaling density matrix-based method for the computation of the vibrational Hessian matrix at the self-consistent field level. Generalized integral-screening for efficient calculations of nonlinear optical properties of large molecules Intermediate electrostatic field for the elongation method.
is cites work of	wds:Q44143415-B4090DEE-C1F2-44EC-BA3B-6FC8405E3F28 wds:Q46557521-A794323C-EFF2-40DA-81BF-CA8E2B969A2C wds:Q56775984-08DBD79A-F732-4D02-AEE2-4054B13D64D4

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