A second-order perturbation theory route to vibrational averages and transition properties of molecules: General formulation and application to infrared and vibrational circular dichroism spectroscopies

Julien Bloino; Vincenzo Barone

doi:10.1063/1.3695210

A second-order perturbation theory route to vibrational averages and transition properties of molecules: General formulation and application to infrared and vibrational circular dichroism spectroscopies

The Journal of Chemical Physics ◽

10.1063/1.3695210 ◽

2012 ◽

Vol 136 (12) ◽

pp. 124108 ◽

Cited By ~ 231

Author(s):

Julien Bloino ◽

Vincenzo Barone

Keyword(s):

Perturbation Theory ◽

Circular Dichroism ◽

Second Order ◽

Vibrational Circular Dichroism ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Circular Dichroïsm ◽

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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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 ◽

Cited By ~ 4

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 ◽

Cited By ~ 27

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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Theoretical Calculation of Core-Excited States along Dissociative Pathways beyond Second-Order Perturbation Theory

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.1c00884 ◽

2021 ◽

Author(s):

Meng Huang ◽

Chenyang Li ◽

Francesco A. Evangelista

Keyword(s):

Perturbation Theory ◽

Theoretical Calculation ◽

Excited States ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Second Order Perturbation Theory

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Use of second‐order perturbation theory for the vibrational energy levels and partition functions at a saddle point

The Journal of Chemical Physics ◽

10.1063/1.467511 ◽

1994 ◽

Vol 101 (5) ◽

pp. 3928-3935 ◽

Cited By ~ 18

Author(s):

Alan D. Isaacson ◽

Shu‐Chin Hung

Keyword(s):

Perturbation Theory ◽

Saddle Point ◽

Vibrational Energy ◽

Energy Levels ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Partition Functions ◽

Vibrational Energy Levels ◽

Second Order Perturbation Theory

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