Comparing Vibrationally Averaged Nuclear Shielding Constants by Quantum Diffusion Monte Carlo and Second-Order Perturbation Theory

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.6b00036 ◽

2016 ◽

Vol 120 (8) ◽

pp. 1297-1306 ◽

Author(s):

Yee-Hong Ng ◽

Ryan P. A. Bettens

Keyword(s):

Monte Carlo ◽

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Quantum Diffusion ◽

Diffusion Monte Carlo ◽

Shielding Constants ◽

Nuclear Shielding ◽

Second Order Perturbation Theory

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Development of Monte Carlo configuration interaction: Natural orbitals and second-order perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.4767436 ◽

2012 ◽

Vol 137 (20) ◽

pp. 204108 ◽

Author(s):

J. P. Coe ◽

M. J. Paterson

Keyword(s):

Monte Carlo ◽

Perturbation Theory ◽

Configuration Interaction ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Natural Orbitals ◽

Second Order Perturbation Theory

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Publisher's Note: “Development of Monte Carlo configuration interaction: Natural orbitals and second-order perturbation theory” [J. Chem. Phys. 137, 204108 (2012)]

The Journal of Chemical Physics ◽

10.1063/1.4809588 ◽

2013 ◽

Vol 138 (20) ◽

pp. 209903 ◽

Author(s):

J. P. Coe ◽

M. J. Paterson

Keyword(s):

Monte Carlo ◽

Perturbation Theory ◽

Configuration Interaction ◽

Chem Phys ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Natural Orbitals ◽

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 ◽

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 ◽

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 ◽

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 ◽

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 ◽

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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The role of atomic excited states of Au on N2O capture and activation: A multireference second-order perturbation theory study

The Journal of Chemical Physics ◽

10.1063/1.3521269 ◽

2010 ◽

Vol 133 (24) ◽

pp. 244306 ◽

Author(s):

Oscar Olvera-Neria ◽

Virineya Bertin ◽

Enrique Poulain

Keyword(s):

Perturbation Theory ◽

Excited States ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Second Order Perturbation Theory

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The reduced model space method in multireference second-order perturbation theory

Chemical Physics Letters ◽

10.1016/s0009-2614(98)01092-6 ◽

1998 ◽

Vol 296 (5-6) ◽

pp. 435-444 ◽

Author(s):

Viktor N. Staroverov ◽

Ernest R. Davidson

Keyword(s):

Perturbation Theory ◽

Model Space ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Reduced Model ◽

Space Method ◽

Second Order Perturbation Theory

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