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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 107, 2009 - Issue 8-12: A Special Issue in Honour of Professor Henry F. Schaefer
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Invited Articles

On the accuracy of spin-component-scaled perturbation theory (SCS-MP2) for the potential energy surface of the ethylene dimer

Rollin A. King Bethel University, 3900 Bethel Dr., St. Paul, Minnesota 55112, USACorrespondence[email protected]
Pages 789-795 | Received 03 Nov 2008, Accepted 18 Nov 2008, Published online: 07 Oct 2010

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Andreas Glöß, Martin P. Brändle, Wim Klopper & Hans P. Lüthi. (2012) The MP2 binding energy of the ethene dimer and its dependence on the auxiliary basis sets: a benchmark study using a newly developed infrastructure for the processing of quantum chemical data. Molecular Physics 110:19-20, pages 2523-2534.
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Articles from other publishers (28)

Chandler Greenwell, Jan Řezáč & Gregory J. O. Beran. (2022) Spin-component-scaled and dispersion-corrected second-order Møller–Plesset perturbation theory: a path toward chemical accuracy. Physical Chemistry Chemical Physics 24:6, pages 3695-3712.
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Amir Karton & Jan M. L. Martin. (2021) Prototypical π–π dimers re-examined by means of high-level CCSDT(Q) composite ab initio methods . The Journal of Chemical Physics 154:12.
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Chandler Greenwell & Gregory J. O. Beran. (2021) Rubrene untwisted: common density functional theory calculations overestimate its deviant tendencies. Journal of Materials Chemistry C 9:8, pages 2848-2857.
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Amir Karton. (2021) Can density functional theory ‘Cope’ with highly fluxional shapeshifting molecules?. Chemical Physics 540, pages 111013.
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Amir Karton, Simone L. Waite & Alister J. Page. (2018) Performance of DFT for C 60 Isomerization Energies: A Noticeable Exception to Jacob’s Ladder . The Journal of Physical Chemistry A 123:1, pages 257-266.
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Rahul Maitra. (2018) Dynamically adjustable spin component scaled second order Møller-Plesset perturbation theory for strongly correlated molecular systems. The Journal of Chemical Physics 149:20.
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Asim Najibi & Lars Goerigk. (2018) A Comprehensive Assessment of the Effectiveness of Orbital Optimization in Double-Hybrid Density Functionals in the Treatment of Thermochemistry, Kinetics, and Noncovalent Interactions. The Journal of Physical Chemistry A 122:25, pages 5610-5624.
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Robert T. McGibbon, Andrew G. Taube, Alexander G. Donchev, Karthik Siva, Felipe Hernández, Cory Hargus, Ka-Hei Law, John L. Klepeis & David E. Shaw. (2017) Improving the accuracy of Møller-Plesset perturbation theory with neural networks. The Journal of Chemical Physics 147:16.
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Milana M. Zarić, Branko Bugarski & Mirjana Lj. Kijevčanin. (2017) Best methods for calculating interaction energies in 2-butene and butane systems. Computational and Theoretical Chemistry 1117, pages 150-161.
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Berthelot Saïd Duvalier Ramlina Vamhindi & Amir Karton. (2017) Can DFT and ab initio methods adequately describe binding energies in strongly interacting C6X6⋯C2X π–π complexes?. Chemical Physics 493, pages 12-19.
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Victor N. Cherepanov, Yulia N. Kalugina & Mikhail A. BuldakovVictor N. Cherepanov, Yulia N. Kalugina & Mikhail A. Buldakov. 2017. Interaction-induced Electric Properties of van der Waals Complexes. Interaction-induced Electric Properties of van der Waals Complexes 17 50 .
Patrick Trouillas, Juan C. Sancho-García, Victor De Freitas, Johannes Gierschner, Michal Otyepka & Olivier Dangles. (2016) Stabilizing and Modulating Color by Copigmentation: Insights from Theory and Experiment. Chemical Reviews 116:9, pages 4937-4982.
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Milana M. Zarić, Branko Bugarski & Mirjana Lj. Kijevčanin. (2015) Interactions of Molecules with cis and trans Double Bonds: A Theoretical Study of cis ‐ and trans ‐2‐Butene . ChemPhysChem 17:2, pages 317-324.
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Piotr Matczak. (2014) Theoretical investigation of the N → Sn coordination in (Me3SnCN)2. Structural Chemistry 26:1, pages 301-318.
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Yu-ya Ohnishi, Kazuya Ishimura & Seiichiro Ten-no. (2014) Interaction Energy of Large Molecules from Restrained Denominator MP2-F12. Journal of Chemical Theory and Computation 10:11, pages 4857-4861.
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Jason Rigby & Ekaterina I. Izgorodina. (2014) New SCS- and SOS-MP2 Coefficients Fitted to Semi-Coulombic Systems. Journal of Chemical Theory and Computation 10:8, pages 3111-3122.
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Ye Cao & Ming Wah Wong. (2014) Roles of electrostatic interaction and dispersion in CH···CH, CH···π, and π···π ethylene dimers. Journal of Molecular Modeling 20:4.
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Emine Soydaş & Uğur Bozkaya. (2013) Accurate Open-Shell Noncovalent Interaction Energies from the Orbital-Optimized Møller–Plesset Perturbation Theory: Achieving CCSD Quality at the MP2 Level by Orbital Optimization. Journal of Chemical Theory and Computation 9:11, pages 4679-4683.
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Stefan Grimme, Lars Goerigk & Reinhold F. Fink. (2012) Spin-component-scaled electron correlation methods. Wiley Interdisciplinary Reviews: Computational Molecular Science 2:6, pages 886-906.
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Edward G. Hohenstein & C. David Sherrill. (2012) Wavefunction methods for noncovalent interactions. Wiley Interdisciplinary Reviews: Computational Molecular Science 2:2, pages 304-326.
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Yulia N. Kalugina, Victor N. Cherepanov, Mikhail A. Buldakov, Natalia Zvereva-Loëte & Vincent Boudon. (2012) Theoretical investigation of the ethylene dimer: Interaction energy and dipole moment. Journal of Computational Chemistry 33:3, pages 319-330.
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R. Julian Azar & Martin Head-Gordon. (2012) An energy decomposition analysis for intermolecular interactions from an absolutely localized molecular orbital reference at the coupled-cluster singles and doubles level. The Journal of Chemical Physics 136:2.
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J.C. Sancho-García. (2011) A theoretical study of a strongly correlated linear H50 chain. Chemical Physics Letters 511:1-3, pages 172-175.
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Grigory A. Shamov, Georg Schreckenbach & Peter H. M. Budzelaar. (2011) Stability of Hydrocarbons of the Polyhedrane Family Containing Bridged CH Groups: A Case of Failure of the Colle−Salvetti Correlation Density Functionals.. Journal of Chemical Theory and Computation 7:3, pages 804-806.
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Ágnes Szabados & Péter Nagy. (2010) Spin Component Scaling in Multiconfiguration Perturbation Theory. The Journal of Physical Chemistry A 115:4, pages 523-534.
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Sebastian Kozuch, David Gruzman & Jan M. L. Martin. (2010) DSD-BLYP: A General Purpose Double Hybrid Density Functional Including Spin Component Scaling and Dispersion Correction. The Journal of Physical Chemistry C 114:48, pages 20801-20808.
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Reinhold F. Fink. (2010) Spin-component-scaled Møller–Plesset (SCS-MP) perturbation theory: A generalization of the MP approach with improved properties. The Journal of Chemical Physics 133:17.
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Kevin E. Riley, Michal Pitoňák, Petr Jurečka & Pavel Hobza. (2010) Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories. Chemical Reviews 110:9, pages 5023-5063.
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