About: State-of-the-art correlated ab initio potential energy curves for heavy rare gas dimers: Ar2, Kr2, and Xe2

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article by Petr Slavı́ček et al published 22 July 2003 in Journal of Chemical Physics

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована в липні 2003 (uk) im Juli 2003 veröffentlichter wissenschaftlicher Artikel (de) article scientifique publié en juillet 2003 (fr) article by Petr Slavı́ček et al published 22 July 2003 in Journal of Chemical Physics (en)
publication date	wds:Q58445595-CE7088A9-6C30-47F6-8ECC-E0889A335703
publication date	2003-07-22 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q58445595-0BE75C70-E9A8-4413-AB90-33B7D9F07375
language of work or name	English
cites work	wds:Q58445595-0080A17C-4BEA-4E52-95BC-78F768A968E3 wds:Q58445595-75243B65-FBA1-4039-8A02-DAAB310EABCB wds:Q58445595-80C079E7-960C-479F-ADF1-767CA99A2A6A wds:Q58445595-8DAA3195-9513-4049-A9C7-B31D0D32A9F6 wds:Q58445595-9D245155-C5E7-452B-A8F3-1F50AF7615EF wds:Q58445595-D68FA948-8653-409A-8F44-3719A9343777 wds:Q58445595-DCD6DE87-004E-44E7-A67E-055A24220138 wds:Q58445595-EADF81D8-F241-4D25-8336-71A9A184A162
cites work	Correlation consistent valence basis sets for use with the Stuttgart–Dresden–Bonn relativistic effective core potentials: The atoms Ga–Kr and In–Xe The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors Toward true DNA base-stacking energies: MP2, CCSD(T), and complete basis set calculations Basis-set convergence in correlated calculations on Ne, N2, and H2O On the convergence of the (ΔECCSD(T)−ΔEMP2) term for complexes with multiple H-bonds Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment Dimers of rare gas atoms: CCSD(T), CCSDT and FCI calculations on the (He)2 dimer, CCSD(T) and CCSDT calculations on the (Ne)2 dimer, and CCSD(T) all-electron and pseudopotential calculations on the dimers from (Ne)2 through (Xe)2 Basis-set extrapolation
author name string	wds:Q58445595-6455B1E1-638D-41DD-BEE6-10C99E1E79AB wds:Q58445595-734307F0-3A26-4525-930E-E2321D0BD70F wds:Q58445595-8B460478-75AC-432C-BA21-569EEE7C0337 wds:Q58445595-91433FAA-F73D-4285-A69E-7E367A3E6E06
author name string	Anatol Malijevský Iva Odvárková Petr Paška Petr Slavı́ček
rdfs:label	State-of-the-art correlated ab initio potential energy curves for heavy rare gas dimers: Ar2, Kr2, and Xe2 (en) State-of-the-art correlated ab initio potential energy curves for heavy rare gas dimers: Ar2, Kr2, and Xe2 (nl)
skos:prefLabel	State-of-the-art correlated ab initio potential energy curves for heavy rare gas dimers: Ar2, Kr2, and Xe2 (en) State-of-the-art correlated ab initio potential energy curves for heavy rare gas dimers: Ar2, Kr2, and Xe2 (nl)
name	State-of-the-art correlated ab initio potential energy curves for heavy rare gas dimers: Ar2, Kr2, and Xe2 (en) State-of-the-art correlated ab initio potential energy curves for heavy rare gas dimers: Ar2, Kr2, and Xe2 (nl)
author	wds:Q58445595-106C190C-96D9-48E4-8426-40A06927B1DD wds:Q58445595-A4B2C217-451B-45E4-85D3-4B3EC5790201
author	Pavel Hobza René Kalus
title	wds:Q58445595-DD31A800-32DD-4C50-9DD0-C3582A4DE96C
title	State-of-the-art correlated ab initio potential energy curves for heavy rare gas dimers: Ar2, Kr2, and Xe2 (en)
page(s)	wds:Q58445595-02449AD8-2F6F-420F-982F-00C5C65FCAF5
page(s)	2102-2119
instance of	wds:Q58445595-AC0D8584-F927-43D9-BC15-017C3E5C8B1C
instance of	scholarly article
main subject	wds:Q58445595-09D0C86F-88E9-4EF7-A7FF-06CA28687039
main subject	potential energy
published in	wds:Q58445595-53B5E03D-7E55-459F-89CB-BD75F4CE3489
published in	Journal of Chemical Physics
issue	wds:Q58445595-19895434-A123-494B-A333-E91CE23C4254
volume	wds:Q58445595-6B07A22A-2C56-4630-9733-2D9738C37AAE
issue	4
volume	119
DOI	wds:Q58445595-B457ADD9-CCF4-423D-9B40-BC19941F05D0
DOI	http://dx.doi.org/10.1063/1.1582838
DOI	10.1063/1.1582838
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q58445595
is cites work of	Evaluation of model exchange-correlation kernels in the adiabatic connection fluctuation-dissipation theorem for inhomogeneous systems. Two- and three-body interatomic dispersion energy contributions to binding in molecules and solids Packed to the rafters: filling up C60 with rare gas atoms Computational studies on thermodynamic properties, effective diameters, and free volume of argon using an ab initio potential Transport coefficients of helium-argon mixture based on ab initio potential Accurate ab initio potential for the krypton dimer and transport properties of the low-density krypton gas. Understanding of matrix embedding: a theoretical spectroscopic study of CO interacting with Ar clusters, surfaces and matrices Dispersion-corrected Møller-Plesset second-order perturbation theory. Inter- and intramolecular dispersion interactions. Induced anisotropy of Ar2: a state-of-the-art semiempirical model. Power series expansion of the random phase approximation correlation energy: The role of the third- and higher-order contributions Ab initio intermolecular potential energy surfaces of the water-rare gas atom complexes A Molecular Orbital Analysis on Helium Dimer and Helium-Containing Materials Theory and atomistic simulation of krypton fluid. Why are para-hydrogen clusters superfluid? A quantum theorem of corresponding states study. Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimer. Does DFT-SAPT method provide spectroscopic accuracy? State-of-the-art ab initio potential energy curve for the krypton atom pair and thermophysical properties of dilute krypton gas. Four-body interaction energy for compressed solid krypton from quantum theory. Potential energy surfaces for small alcohol dimers I: methanol and ethanol. Sensitivity of the thermal and acoustic virial coefficients of argon to the argon interaction potential Frustrated tunnel ionization of noble gas dimers with Rydberg-electron shakeoff by electron charge oscillation. Predicting vapor-liquid phase equilibria with augmented ab initio interatomic potentials. The study of basis sets for the calculation of the structure and dynamics of the benzene-Kr complex. State-of-the-art ab initio potential energy curve for the xenon atom pair and related spectroscopic and thermophysical properties. Accurate virial coefficients of gaseous krypton from state-of-the-art ab initio potential and polarizability of the krypton dimer. Application of mean-field and surface-hopping approaches for interrogation of the Xe3+ molecular ion photoexcitation dynamics. Insights into the spurious long-range nature of local r-dependent non-local exchange-correlation kernels.
is cites work of	wds:Q40289550-E79F0FA7-7D82-440B-974B-9486686F8F67 wds:Q40401164-A28A3D5A-93B8-4636-A5DB-CA8ACD677BC5 wds:Q40843635-B8275F9C-180B-423A-B2E8-54DFD15165EA wds:Q43007814-85F6FFCB-EE0B-4C53-BE9A-857B0306AB7B wds:Q51453071-3F210B79-583B-49CD-99B8-A19469161174 wds:Q46735891-64653DE1-73C3-43D7-BA6C-796593CC1EB1 wds:Q56803874-22BA4FC5-4523-4A64-BBAA-5CF7EA034AF4 wds:Q50607277-863A2A61-A7E0-4148-BBFA-80B6C7E37FE0 wds:Q40887162-82729B70-60D4-4B3B-BE25-8A28EF42C669 wds:Q51671359-01EA627B-7811-4859-B4EF-62D591AEA192

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