Performance of spin-component-scaled Møller–Plesset theory (SCS-MP2) for potential energy curves of noncovalent interactions

Tait Takatani; C. David Sherrill

doi:10.1039/b709669k

Performance of spin-component-scaled Møller–Plesset theory (SCS-MP2) for potential energy curves of noncovalent interactions

Physical Chemistry Chemical Physics ◽

10.1039/b709669k ◽

2007 ◽

Vol 9 (46) ◽

pp. 6106 ◽

Cited By ~ 90

Author(s):

Tait Takatani ◽

C. David Sherrill

Keyword(s):

Potential Energy ◽

Noncovalent Interactions ◽

Potential Energy Curves ◽

Spin Component ◽

Moller Plesset

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Potential energy curves of fluorine, nitrogen and ethylene calculated by approximately projected unrestricted Hartree-Fock and Møller-Plesset perturbation methods

Chemical Physics Letters ◽

10.1016/0009-2614(89)87236-7 ◽

1989 ◽

Vol 157 (3) ◽

pp. 211-216 ◽

Cited By ~ 18

Author(s):

Y. Takahara ◽

K. Yamaguchi ◽

T. Fueno

Keyword(s):

Potential Energy ◽

Perturbation Methods ◽

Potential Energy Curves ◽

Hartree Fock ◽

Moller Plesset

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Potential energy curves for transition metal dimers and complexes calculated by the approximately projected unrestricted Hartree-Fock and Møller-Plesset perturbation (APUMP) methods

Chemical Physics Letters ◽

10.1016/0009-2614(89)87300-2 ◽

1989 ◽

Vol 158 (1-2) ◽

pp. 95-101 ◽

Cited By ~ 44

Author(s):

Yoichi Takahara ◽

Kizashi Yamaguchi ◽

Takayuki Fueno

Keyword(s):

Transition Metal ◽

Potential Energy ◽

Potential Energy Curves ◽

Hartree Fock ◽

Moller Plesset

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Separate Electronic Attenuation Allowing a Spin-Component-Scaled Second-Order Møller–Plesset Theory to Be Effective for Both Thermochemistry and Noncovalent Interactions

The Journal of Physical Chemistry B ◽

10.1021/jp4126478 ◽

2014 ◽

Vol 118 (24) ◽

pp. 6519-6525 ◽

Cited By ~ 11

Author(s):

Matthew Goldey ◽

Martin Head-Gordon

Keyword(s):

Noncovalent Interactions ◽

Second Order ◽

Spin Component ◽

Moller Plesset

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Is Spin-Component Scaled Second-Order Møller−Plesset Perturbation Theory an Appropriate Method for the Study of Noncovalent Interactions in Molecules?

The Journal of Physical Chemistry A ◽

10.1021/jp070589p ◽

2007 ◽

Vol 111 (22) ◽

pp. 4862-4868 ◽

Cited By ~ 145

Author(s):

Jens Antony ◽

Stefan Grimme

Keyword(s):

Perturbation Theory ◽

Noncovalent Interactions ◽

Second Order ◽

Spin Component ◽

Moller Plesset ◽

Plesset Perturbation Theory

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The energy-consistent method for the potential energy curves and the vibrational eigenfunctions of stable diatomic states

Molecular Physics ◽

10.1080/00268979709482078 ◽

1997 ◽

Vol 92 (1) ◽

pp. 105-108 ◽

Cited By ~ 10

Author(s):

WEIGUO SUN

Keyword(s):

Potential Energy ◽

Potential Energy Curves ◽

Consistent Method

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Potential energy curves of low-lying states of HNO

Chemical Physics Letters ◽

10.1016/0009-2614(79)80330-9 ◽

1979 ◽

Vol 66 (3) ◽

pp. 523-526 ◽

Cited By ~ 17

Author(s):

Okio Nomura ◽

Suehiro Iwata

Keyword(s):

Potential Energy ◽

Potential Energy Curves

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Exploration of interlacing and avoided crossings in a manifold of potential energy curves by a unitary group adapted state specific multi-reference perturbation theory (UGA-SSMRPT)

The Journal of Chemical Physics ◽

10.1063/5.0054731 ◽

2021 ◽

Vol 155 (1) ◽

pp. 014101

Author(s):

Dibyajyoti Chakravarti ◽

Koustav Hazra ◽

Riya Kayal ◽

Sudip Sasmal ◽

Debashis Mukherjee

Keyword(s):

Perturbation Theory ◽

Potential Energy ◽

Unitary Group ◽

Potential Energy Curves ◽

Avoided Crossings

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Quantum mechanical study of potential energy curves of protons in hydrogen bonds of 7-azaindole dimer in the ground and excited states

Chemical Physics Letters ◽

10.1016/0009-2614(71)80405-0 ◽

1971 ◽

Vol 11 (4) ◽

pp. 539-541 ◽

Cited By ~ 17

Author(s):

V.I. Pechenaya ◽

V.I. Danilov

Keyword(s):

Hydrogen Bonds ◽

Potential Energy ◽

Excited States ◽

Potential Energy Curves ◽

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study

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Potential energy curves of B(3π0+) and Y(O+) states of IBr

Journal of Physics B Atomic and Molecular Physics ◽

10.1088/0022-3700/9/12/021 ◽

1976 ◽

Vol 9 (12) ◽

pp. 2091-2096 ◽

Cited By ~ 1

Author(s):

B Couillaud ◽

A Ducasse ◽

L Garrido ◽

F Joly

Keyword(s):

Potential Energy ◽

Potential Energy Curves

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The calculation of potential-energy curves from band-spectroscopic data

Proceedings of the Physical Society ◽

10.1088/0959-5309/59/6/310 ◽

1947 ◽

Vol 59 (6) ◽

pp. 998-1008 ◽

Cited By ~ 522

Author(s):

A L G Rees

Keyword(s):

Potential Energy ◽

Spectroscopic Data ◽

Potential Energy Curves

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