Second-order Møller–Plesset perturbation theory without basis set superposition error. II. Open-shell systems

The Journal of Chemical Physics ◽

10.1063/1.1650306 ◽

2004 ◽

Vol 120 (13) ◽

pp. 5882-5889 ◽

Author(s):

P. Salvador ◽

I. Mayer

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Basis Set ◽

Basis Set Superposition Error ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Complete basis set limits of local second-order Møller–Plesset perturbation theory

Molecular Physics ◽

10.1080/00268976.2013.809803 ◽

2013 ◽

Vol 111 (9-11) ◽

pp. 1178-1189

Author(s):

Kameron R. Jorgensen ◽

Vinay V. Ramasesh ◽

Sonja Hannibal ◽

Nathan J. DeYonker ◽

Angela K. Wilson

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Basis Set ◽

Complete Basis ◽

Complete Basis Set ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Second order Mo/ller–Plesset perturbation theory without basis set superposition error

The Journal of Chemical Physics ◽

10.1063/1.476931 ◽

1998 ◽

Vol 109 (9) ◽

pp. 3360-3373 ◽

Author(s):

I. Mayer ◽

P. Valiron

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Basis Set ◽

Basis Set Superposition Error ◽

Plesset Perturbation Theory

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Convergence of attenuated second order Møller–Plesset perturbation theory towards the complete basis set limit

Chemical Physics Letters ◽

10.1016/j.cplett.2014.05.092 ◽

2014 ◽

Vol 608 ◽

pp. 249-254 ◽

Author(s):

Matthew B. Goldey ◽

Martin Head-Gordon

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Basis Set ◽

Complete Basis ◽

Complete Basis Set ◽

Complete Basis Set Limit ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Second-order Møller-Plesset perturbation theory for molecular Dirac-Hartree-Fock wavefunctions. Theory for up to two open-shell electrons

Chemical Physics Letters ◽

10.1016/0009-2614(94)00488-9 ◽

1994 ◽

Vol 224 (1-2) ◽

pp. 186-194 ◽

Author(s):

Kenneth G. Dyall

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Hartree Fock ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Scalable Electron Correlation Methods. 6. Local Spin-Restricted Open-Shell Second-Order Møller–Plesset Perturbation Theory Using Pair Natural Orbitals: PNO-RMP2

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.8b01012 ◽

2018 ◽

Vol 15 (2) ◽

pp. 987-1005 ◽

Author(s):

Christine Krause ◽

Hans-Joachim Werner

Keyword(s):

Perturbation Theory ◽

Electron Correlation ◽

Second Order ◽

Natural Orbitals ◽

Correlation Methods ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Ab initio calculation of excited state energies using basis set optimization and open-shell Møller-Plesset perturbation theory

Chemical Physics Letters ◽

10.1016/0009-2614(96)01038-x ◽

1996 ◽

Vol 262 (1-2) ◽

pp. 59-65 ◽

Author(s):

V.N. Glushkov ◽

A.Ya. Tsaune

Keyword(s):

Perturbation Theory ◽

Excited State ◽

Ab Initio ◽

Ab Initio Calculation ◽

Set Optimization ◽

Basis Set ◽

Moller Plesset ◽

Basis Set Optimization ◽

Plesset Perturbation Theory

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A scaled explicitly correlated F12 correction to second-order Møller–Plesset perturbation theory

The Journal of Chemical Physics ◽

10.1063/5.0033411 ◽

2021 ◽

Vol 154 (4) ◽

pp. 044101

Author(s):

L. Urban ◽

T. H. Thompson ◽

C. Ochsenfeld

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Explicitly Correlated ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Second order Møller-Plesset perturbation theory based upon the fragment molecular orbital method

The Journal of Chemical Physics ◽

10.1063/1.1769362 ◽

2004 ◽

Vol 121 (6) ◽

pp. 2483 ◽

Author(s):

Dmitri G. Fedorov ◽

Kazuo Kitaura

Keyword(s):

Perturbation Theory ◽

Molecular Orbital ◽

Second Order ◽

Orbital Method ◽

Molecular Orbital Method ◽

Fragment Molecular Orbital ◽

Moller Plesset ◽

Plesset Perturbation Theory

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NMR shielding tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge including atomic orbitals

The Journal of Chemical Physics ◽

10.1063/1.4744102 ◽

2012 ◽

Vol 137 (8) ◽

pp. 084107 ◽

Author(s):

Stefan Loibl ◽

Martin Schütz

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Atomic Orbitals ◽

Shielding Tensors ◽

Moller Plesset ◽

Plesset Perturbation Theory

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The molecular gradient using the divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation theory: The DEC-RI-MP2 gradient

The Journal of Chemical Physics ◽

10.1063/1.4956454 ◽

2016 ◽

Vol 145 (2) ◽

pp. 024106 ◽

Author(s):

Dmytro Bykov ◽

Kasper Kristensen ◽

Thomas Kjærgaard

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Resolution Of The Identity ◽

Moller Plesset ◽

Plesset Perturbation Theory

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