Exploring the Boundary between Aromatic and Olefinic Character:  Bad News for Second-Order Perturbation Theory and Density Functional Schemes

Horst M. Sulzbach; Henry F. Schaefer; Wim Klopper; Hans Peter Lüthi

doi:10.1021/ja9538400

Exploring the Boundary between Aromatic and Olefinic Character: Bad News for Second-Order Perturbation Theory and Density Functional Schemes

Journal of the American Chemical Society ◽

10.1021/ja9538400 ◽

1996 ◽

Vol 118 (14) ◽

pp. 3519-3520 ◽

Cited By ~ 31

Author(s):

Horst M. Sulzbach ◽

Henry F. Schaefer ◽

Wim Klopper ◽

Hans Peter Lüthi

Keyword(s):

Perturbation Theory ◽

Density Functional ◽

Second Order ◽

Bad News ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Second Order Perturbation Theory

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Conformations of [10]Annulene: More Bad News for Density Functional Theory and Second-Order Perturbation Theory

Journal of the American Chemical Society ◽

10.1021/ja991429x ◽

1999 ◽

Vol 121 (46) ◽

pp. 10788-10793 ◽

Cited By ~ 58

Author(s):

Rollin A. King ◽

T. Daniel Crawford ◽

John F. Stanton ◽

Henry F. Schaefer

Keyword(s):

Density Functional Theory ◽

Perturbation Theory ◽

Density Functional ◽

Second Order ◽

Bad News ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Functional Theory ◽

Second Order Perturbation Theory

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Performance of density functional theory and orbital-optimised second-order perturbation theory methods for geometries and singlet–triplet state splittings of aryl-carbenes

Molecular Physics ◽

10.1080/00268976.2020.1764644 ◽

2020 ◽

Vol 118 (21-22) ◽

pp. e1764644

Author(s):

Reza Ghafarian Shirazi ◽

Dimitrios A. Pantazis ◽

Frank Neese

Keyword(s):

Density Functional Theory ◽

Perturbation Theory ◽

Triplet State ◽

Density Functional ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Functional Theory ◽

Second Order Perturbation Theory

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Performance of Density Functional Theory and Møller–Plesset Second-Order Perturbation Theory for Structural Parameters in Complexes of Ru

Journal of Chemical Theory and Computation ◽

10.1021/ct200188n ◽

2011 ◽

Vol 7 (7) ◽

pp. 2325-2332 ◽

Cited By ~ 104

Author(s):

Anant D. Kulkarni ◽

Donald G. Truhlar

Keyword(s):

Density Functional Theory ◽

Perturbation Theory ◽

Density Functional ◽

Structural Parameters ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Functional Theory ◽

Moller Plesset ◽

Second Order Perturbation Theory

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Performance of Møller-Plesset second-order perturbation theory and density functional theory in predicting the interaction between stannylenes and aromatic molecules

Journal of Molecular Modeling ◽

10.1007/s00894-015-2589-1 ◽

2015 ◽

Vol 21 (3) ◽

Cited By ~ 14

Author(s):

Piotr Matczak ◽

Sławomir Wojtulewski

Keyword(s):

Density Functional Theory ◽

Perturbation Theory ◽

Density Functional ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Functional Theory ◽

Aromatic Molecules ◽

Moller Plesset ◽

Second Order Perturbation Theory

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Statistics of Smoothed Cosmic Fields in Perturbation Theory. I. Formulation and Useful Formulae in Second‐Order Perturbation Theory

The Astrophysical Journal ◽

10.1086/345521 ◽

2003 ◽

Vol 584 (1) ◽

pp. 1-33 ◽

Cited By ~ 93

Author(s):

Takahiko Matsubara

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Second Order Perturbation Theory

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Second-Order Perturbation Theory

Nuclear Science and Engineering ◽

10.13182/nse79-a19658 ◽

1979 ◽

Vol 70 (2) ◽

pp. 215-215

Author(s):

K. W. Burn

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Second Order Perturbation Theory

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Second-order perturbation theory for scattering from heterogeneous rough surfaces

Journal of the Optical Society of America A ◽

10.1364/josaa.21.001251 ◽

2004 ◽

Vol 21 (7) ◽

pp. 1251 ◽

Cited By ~ 14

Author(s):

Charles-Antoine Guérin ◽

Anne Sentenac

Keyword(s):

Perturbation Theory ◽

Rough Surfaces ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Second Order Perturbation Theory

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Effect of the nonlocal exchange on the performance of the orbital-dependent correlation functionals from second-order perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.2978171 ◽

2008 ◽

Vol 129 (12) ◽

pp. 124109 ◽

Cited By ~ 15

Author(s):

Igor V. Schweigert ◽

Rodney J. Bartlett

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Dependent Correlation ◽

Second Order Perturbation Theory

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Second Order Perturbation Theory for a Superconducting Double Quantum Dot

Proceedings of the International Conference on Strongly Correlated Electron Systems (SCES2019) ◽

10.7566/jpscp.30.011002 ◽

2020 ◽

Cited By ~ 1

Author(s):

Vladislav Pokorný ◽

Martin Žonda ◽

Georgios Loukeris ◽

Tomáš Novotný

Keyword(s):

Perturbation Theory ◽

Quantum Dot ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Double Quantum ◽

Double Quantum Dot ◽

Second Order Perturbation Theory

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Second‐Order Perturbation Theory in Atomic and Molecular Quantum Mechanics (Application to the Electric Dipole and Quadrupole Polarizabilities and Shielding Factors of the Beryllium Atom)

The Journal of Chemical Physics ◽

10.1063/1.1725349 ◽

1964 ◽

Vol 40 (6) ◽

pp. 1478-1485 ◽

Cited By ~ 41

Author(s):

Hugh P. Kelly ◽

Howard S. Taylor

Keyword(s):

Perturbation Theory ◽

Quantum Mechanics ◽

Electric Dipole ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Molecular Quantum Mechanics ◽

Second Order Perturbation Theory

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