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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 98, 2000 - Issue 18
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Original Articles

Regular approximated scalar relativistic correlated ab initio schemes: applications to rare gas dimers

S. Faas
,
J. H. Van Lenthe
&
J. G. Snijders
Pages 1467-1472 | Published online: 03 Dec 2010

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Tom Rivlin, Laura K. McKemmish, K. Eryn Spinlove & Jonathan Tennyson. (2019) Low temperature scattering with the R-matrix method: argon-argon scattering. Molecular Physics 117:21, pages 3158-3170.
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Benjamin Jäger, Robert Hellmann, Eckard Bich & Eckhard Vogel. (2009) Ab initio pair potential energy curve for the argon atom pair and thermophysical properties of the dilute argon gas. I. Argon–argon interatomic potential and rovibrational spectra. Molecular Physics 107:20, pages 2181-2188.
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Konrad Patkowski, Garold Murdachaew, Cheng-Ming Fou & Krzysztof Szalewicz . (2005) Accurate ab initio potential for argon dimer including highly repulsive region. Molecular Physics 103:15-16, pages 2031-2045.
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Martyn F. Guest , Ian J. Bush, Huub J. J. Van Dam, Paul Sherwood, Jens M. H. Thomas, Joop H. Van Lenthe, Remco W. A. Havenith & John Kendrick. (2005) The GAMESS-UK electronic structure package: algorithms, developments and applications. Molecular Physics 103:6-8, pages 719-747.
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ALEXANDR MALIJEVSKÝ & ANATOL MALIJEVSKÝ. (2003) Monte Carlo simulations of thermodynamic properties of argon, krypton and xenon in liquid and gas state using new ab initio pair potentials. Molecular Physics 101:22, pages 3335-3340.
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James S.M. Anderson. 2023. Advances in Quantum Chemical Topology Beyond QTAIM. Advances in Quantum Chemical Topology Beyond QTAIM 245 267 .
Arnaud Monpezat, Jean Aupiais & Bruno Siberchicot. (2021) Xe Adsorption on Noble Metal Clusters: A Density Functional Theory Investigation. ACS Omega 6:47, pages 31513-31519.
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Robert Hellmann, Benjamin Jäger & Eckard Bich. (2017) State-of-the-art ab initio potential energy curve for the xenon atom pair and related spectroscopic and thermophysical properties . The Journal of Chemical Physics 147:3.
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George Maroulis. (2016) A note on the interaction-induced electric quadrupole moment of two xenon atoms. Chemical Physics Letters 647, pages 114-116.
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Emilia Makarewicz, Agnieszka J. Gordon & Slawomir Berski. (2014) Nature of the Bonding in the AuNgX (Ng = Ar, Kr, Xe; X = F, Cl, Br, I) Molecules. Topological Study on Electron Density and the Electron Localization Function (ELF). The Journal of Physical Chemistry A 119:11, pages 2401-2412.
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Leonid Shirkov & Jan Makarewicz. (2015) Does DFT-SAPT method provide spectroscopic accuracy?. The Journal of Chemical Physics 142:6.
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Trond Saue. (2011) Relativistic Hamiltonians for Chemistry: A Primer. ChemPhysChem 12:17, pages 3077-3094.
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James S. M. Anderson & Paul W. Ayers. (2011) Quantum Theory of Atoms in Molecules: Results for the SR-ZORA Hamiltonian. The Journal of Physical Chemistry A 115:45, pages 13001-13006.
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Shinichirou Minemoto & Hirofumi Sakai. (2011) Measuring polarizability anisotropies of rare gas diatomic molecules by laser-induced molecular alignment technique. The Journal of Chemical Physics 134:21.
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Konrad Patkowski & Krzysztof Szalewicz. (2010) Argon pair potential at basis set and excitation limits. The Journal of Chemical Physics 133:9.
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Prasenjit Seal & Swapan Chakrabarti. (2009) Suitability of Double Hybrid Density Functionals and Their Dispersion-Corrected Counterparts in Producing the Potential Energy Curves for CO 2 −Rg (Rg: He, Ne, Ar and Kr) Systems . The Journal of Physical Chemistry A 113:7, pages 1377-1383.
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Matti Selg. (2008) Potential energy curves and transition probabilities for the excimer states 0 u + ( 3 P 1 ) and 1 u ( 3 P 2 ) of Ar 2 . Physica Scripta 77:1, pages 015302.
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Konrad Patkowski & Krzysztof Szalewicz. (2007) Frozen core and effective core potentials in symmetry-adapted perturbation theory. The Journal of Chemical Physics 127:16.
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Anastasios Haskopoulos, Demetrios Xenides & George Maroulis. (2005) Interaction dipole moment, polarizability and hyperpolarizability in the KrXe heterodiatom. Chemical Physics 309:2-3, pages 271-275.
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George Maroulis, Anastasios Haskopoulos & Demetrios Xenides. (2004) New basis sets for xenon and the interaction polarizability of two xenon atoms. Chemical Physics Letters 396:1-3, pages 59-65.
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Michael Filatov. 2002. Encyclopedia of Computational Chemistry. Encyclopedia of Computational Chemistry.
Petr Slavı́ček, René Kalus, Petr Paška, Iva Odvárková, Pavel Hobza & Anatol Malijevský. (2003) State-of-the-art correlated ab initio potential energy curves for heavy rare gas dimers: Ar2, Kr2, and Xe2 . The Journal of Chemical Physics 119:4, pages 2102-2119.
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Nienke H. Boeijenga, Audrius Pugzlys, Thomas l. C. Jansen, Jaap G. Snijders & Koos Duppen. (2002) Liquid xenon as an ideal probe for many-body effects in impulsive Raman scattering. The Journal of Chemical Physics 117:3, pages 1181-1187.
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D. Sundholm. 2002. Relativistic Electronic Structure Theory. Relativistic Electronic Structure Theory 758 792 .
Wim Klopper, Joop H. van Lenthe & Alf C. Hennum. (2000) An improved ab initio relativistic zeroth-order regular approximation correct to order 1/c2 . The Journal of Chemical Physics 113:22, pages 9957-9965.
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