About: Fitting of local densities in periodic systems

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scholarly article in Physical Review B, vol. 78 no. 7, August 2008

Attributes	Values
rdf:type	Item
description	artículu científicu (ast) wetenschappelijk artikel (nl) наукова стаття, опублікована в серпні 2008 (uk) im August 2008 veröffentlichter wissenschaftlicher Artikel (de) scholarly article in Physical Review B, vol. 78 no. 7, August 2008 (en)
publication date	wds:Q57887204-264AE9D4-B6BD-481D-B000-9D948AA386E0
publication date	2008-08-05 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q57887204-12EEDB37-F470-433F-BC23-167A2FFFDFBE
language of work or name	English
cites work	wds:Q57887204-016BE8BF-97A8-4269-A770-2E9BB647F2EE wds:Q57887204-2A9BF050-BD5B-460B-B661-AB4B2A679837 wds:Q57887204-2FA89F1B-35CA-4038-927B-1250DE0FCF71 wds:Q57887204-2FAE12E4-3A92-4243-A4F9-FD5FD6288BC3 wds:Q57887204-4A22B98E-8024-4D7E-AC01-6A586F8C748D wds:Q57887204-55E9CE5B-0A3A-46E3-BB67-7823A644736F wds:Q57887204-663FDF9C-85C7-4603-A4A0-958DFB1C7FCA wds:Q57887204-815557C5-77E2-47C7-B6B6-FD92C1D5146D wds:Q57887204-A7AD5A9C-CA86-4E24-BB50-6CE9AEE55B2C wds:Q57887204-CBE8C191-2F18-47FD-AEF8-21488558494D wds:Q57887204-CFC1B8E2-7710-430A-B50D-50307587F515
cites work	Fast linear scaling second-order Møller-Plesset perturbation theory (MP2) using local and density fitting approximations Auxiliary basis expansions for large-scale electronic structure calculations Poisson equation in the Kohn-Sham Coulomb problem. The Poisson equation in density fitting for the Kohn-Sham Coulomb problem Periodic local MP2 method for the study of electronic correlation in crystals: Theory and preliminary applications. Fast local-MP2 method with density-fitting for crystals. I. Theory and algorithms Fast local-MP2 method with density-fitting for crystals. II. Test calculations and application to the carbon dioxide crystal Local-MP2 electron correlation method for nonconducting crystals Fast Hartree–Fock theory using local density fitting approximations Density fitting of two-electron integrals in extended systems with translational periodicity: the Coulomb problem. Poisson-transformed density fitting in relativistic four-component Dirac-Kohn-Sham theory.
author name string	wds:Q57887204-5531756D-77FC-46FC-960B-CF510FC7257C
author name string	Denis Usvyat
rdfs:label	Fitting of local densities in periodic systems (en) Fitting of local densities in periodic systems (nl)
skos:prefLabel	Fitting of local densities in periodic systems (en) Fitting of local densities in periodic systems (nl)
name	Fitting of local densities in periodic systems (en) Fitting of local densities in periodic systems (nl)
author	wds:Q57887204-9E348B76-8EC2-4542-8BDC-094F5DB85064
author	Lorenzo Maschio
title	wds:Q57887204-0CA44268-A730-4B91-A534-A85A8660AD4B
title	Fitting of local densities in periodic systems (en)
instance of	wds:Q57887204-1E89A581-3D87-43E4-9782-E3997AEC03BB
instance of	scholarly article
published in	wds:Q57887204-3B88766C-4FFD-4628-A759-F353722804A7
published in	Physical Review B
issue	wds:Q57887204-49FB874C-3FB5-4B93-9B0F-B47C0C1364EC
volume	wds:Q57887204-3037CACF-0F6C-41ED-A287-AC2F2086D4CE
issue	7
volume	78
DOI	wds:Q57887204-4D7AC42F-AE0D-48A1-9560-AF8A2B575654
DOI	http://dx.doi.org/10.1103/PHYSREVB.78.073102
DOI	10.1103/PHYSREVB.78.073102
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57887204
is cites work of	Approaching the theoretical limit in periodic local MP2 calculations with atomic-orbital basis sets: The case of LiH A post-Hartree–Fock study of pressure-induced phase transitions in solid nitrogen: The case of the α, γ, and ε low-pressure phases Ab initio study of van der Waals and hydrogen-bonded molecular crystals with a periodic local-MP2 method MP2 versus density-functional theory study of the Compton profiles of crystalline urea Periodic local Møller–Plesset second order perturbation theory method applied to molecular crystals: Study of solid NH3 and CO2 using extended basis sets Linear-scaling explicitly correlated treatment of solids: periodic local MP2-F12 method Cryscor: a program for the post-Hartree–Fock treatment of periodic systems Application of second-order Møller-Plesset perturbation theory with resolution-of-identity approximation to periodic systems. Resolution of identity approximation for the Coulomb term in molecular and periodic systems. Geometrical frustration of an argon monolayer adsorbed on the MgO (100) surface: An accurate periodicab initiostudy Periodic local MP2 method employing orbital specific virtuals. Range-separated double-hybrid density-functional theory applied to periodic systems Double-hybrid density-functional theory applied to molecular crystals Local ab initio methods for calculating optical bandgaps in periodic systems. II. Periodic density fitted local configuration interaction singles method for solids Structural Characteristics of Graphane-Type C and BN Nanostructures by Periodic Local MP2 Approach Beyond a single-determinantal description of the density matrix of periodic systems: Experimental versus theoretical Compton profiles of crystalline silicon Electron correlation decides the stability of cubic versus hexagonal boron nitride Periodic quantum mechanical simulation of the He–MgO(100) interaction potential Periodic density functional theory and local-MP2 study of the librational modes of Ice XI Nuclear motion effects on the density matrix of crystals: an ab initio Monte Carlo harmonic approach. Gaussian and plane-wave mixed density fitting for periodic systems Calculation of the stability of nonperiodic solids using classical force fields and the method of increments: N2O as an example. High precision quantum-chemical treatment of adsorption: Benchmarking physisorption of molecular hydrogen on graphane. The effect of electron correlation on the adsorption of hydrogen fluoride and water on magnesium fluoride surfaces
is cites work of	wds:Q57887024-65F47467-9853-41BC-8CD0-0FDE099B6507 wds:Q57887093-721C1400-35B3-4B26-90E6-305DC73A419A wds:Q57887102-851D449F-C114-429C-897C-3B80BE803A1E wds:Q57887156-545CEDC7-98D9-4A41-B871-A1B80D638068 wds:Q46186048-4818A814-A5A5-4209-AEE1-8239F4F6E96C wds:Q57887114-A2B9F118-45BC-4B31-A4FC-FCE40ED142D9 wds:Q57887190-B36F5B75-932D-4360-8E2D-50CEAA6FC929 wds:Q51338113-8C306648-60DD-4C1A-9BD4-FBE25164A97D wds:Q50708892-F02DFA76-3A30-49F2-BB12-426E77766340 wds:Q57887055-88A9E30B-7AF3-4E48-BA7F-A235E84D5800 wds:Q57887079-33BEDBD2-8A05-4C49-9290-56C3C5B4C2B9 wds:Q57887162-020BEA33-5CE5-4256-957E-A0869BC67855 wds:Q57887149-91C53390-C63D-437F-BAFC-601E218525D1 wds:Q57887088-A2ACC8CC-92FB-4913-BDE2-FB0C9BDA8CD5 wds:Q57887098-807C399D-18C6-4984-A414-0DFAF495354D wds:Q57887111-35556B15-C152-4242-8404-2A1CF86979AD wds:Q52866700-42E484FB-DD58-4FEE-A8CD-2ACF97461DE5 wds:Q45367029-33FDFF2C-8560-429E-90E6-2A6DBFBDF208 wds:Q57887133-81E2A445-0916-45DC-B755-C5FEB450D139 wds:Q57887027-9EFD3280-63B2-4F4B-BAF2-96A51F72F95F

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