Perturbation theory for excited states of molecules. I

A. T. Amos; B. L. Burrows

doi:10.1007/bf00530273

Perturbation theory for excited states of molecules. I

Theoretica Chimica Acta ◽

10.1007/bf00530273 ◽

1971 ◽

Vol 22 (3) ◽

pp. 283-290 ◽

Cited By ~ 8

Author(s):

A. T. Amos ◽

B. L. Burrows

Keyword(s):

Perturbation Theory ◽

Excited States

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Low-Lying Excited States of C120 and C151: A Multireference Perturbation Theory Study

The Journal of Physical Chemistry A ◽

10.1021/jp1019872 ◽

2010 ◽

Vol 114 (47) ◽

pp. 12363-12368 ◽

Cited By ~ 11

Author(s):

Tetsuya Sakata ◽

Yukio Kawashima ◽

Haruyuki Nakano

Keyword(s):

Perturbation Theory ◽

Excited States ◽

Multireference Perturbation Theory

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Diagrammatic perturbation theory: the contribution of triply excited states to correlation energies

Journal of Physics B Atomic and Molecular Physics ◽

10.1088/0022-3700/13/7/525 ◽

1980 ◽

Vol 13 (7) ◽

pp. 1505-1505 ◽

Cited By ~ 7

Author(s):

S Wilson ◽

V R Saunders

Keyword(s):

Perturbation Theory ◽

Excited States ◽

Diagrammatic 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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Orthogonality-constrained Hartree–Fock and perturbation theory for high-spin open-shell excited states

Péter R. Surján - Highlights in Theoretical Chemistry ◽

10.1007/978-3-662-49825-5_23 ◽

2015 ◽

pp. 189-197

Author(s):

V. N. Glushkov ◽

X. Assfeld

Keyword(s):

Perturbation Theory ◽

Excited States ◽

High Spin ◽

Open Shell ◽

Hartree Fock

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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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Taming the excited states of butadiene, hexatriene, and octatetraene using state specific multireference perturbation theory with density functional theory orbitals

The Journal of Chemical Physics ◽

10.1063/5.0007198 ◽

2020 ◽

Vol 152 (24) ◽

pp. 244105

Author(s):

Shovan Manna ◽

Rajat K. Chaudhuri ◽

Sudip Chattopadhyay

Keyword(s):

Density Functional Theory ◽

Perturbation Theory ◽

Excited States ◽

Density Functional ◽

Functional Theory ◽

Multireference Perturbation Theory

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Application of perturbation theory to the description of the lowest excited states of porphyrin molecules

Theoretical and Experimental Chemistry ◽

10.1007/bf00641329 ◽

1990 ◽

Vol 26 (3) ◽

pp. 239-249 ◽

Cited By ~ 1

Author(s):

V. A. Kuz'mitskii

Keyword(s):

Perturbation Theory ◽

Excited States

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Generalized van Vleck Perturbation Theory (GVVPT2) Study of the Excited States of Benzene and the Azabenzenes

The Journal of Physical Chemistry A ◽

10.1021/jp077702w ◽

2008 ◽

Vol 112 (12) ◽

pp. 2677-2682 ◽

Cited By ~ 14

Author(s):

Ajitha Devarajan ◽

Alexander V. Gaenko ◽

Yuri G. Khait ◽

Mark R. Hoffmann

Keyword(s):

Perturbation Theory ◽

Excited States ◽

Van Vleck

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A Quasidegenerate Second-Order Perturbation Theory Approximation to RAS-nSF for Excited States and Strong Correlations

Journal of Chemical Theory and Computation ◽

10.1021/ct400898p ◽

2014 ◽

Vol 10 (2) ◽

pp. 589-599 ◽

Cited By ~ 34

Author(s):

Nicholas J. Mayhall ◽

Matthew Goldey ◽

Martin Head-Gordon

Keyword(s):

Perturbation Theory ◽

Excited States ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Strong Correlations ◽

Theory Approximation ◽

Second Order Perturbation Theory

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Excited States in Metal Oxides by Configuration Interaction and Multireference Perturbation Theory

New Trends in Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-46950-2_13 ◽

2000 ◽

pp. 227-245 ◽

Cited By ~ 2

Author(s):

Carmen Sousa ◽

Coen De Graaf ◽

Francesc Illas ◽

Gianfranco Pacchioni

Keyword(s):

Perturbation Theory ◽

Metal Oxides ◽

Excited States ◽

Configuration Interaction ◽

Multireference Perturbation Theory

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