Time-dependent optimized coupled-cluster method for multielectron dynamics. III. A second-order many-body perturbation approximation

Himadri Pathak; Takeshi Sato; Kenichi L. Ishikawa

doi:10.1063/5.0008789

Time-dependent optimized coupled-cluster method for multielectron dynamics. III. A second-order many-body perturbation approximation

The Journal of Chemical Physics ◽

10.1063/5.0008789 ◽

2020 ◽

Vol 153 (3) ◽

pp. 034110

Author(s):

Himadri Pathak ◽

Takeshi Sato ◽

Kenichi L. Ishikawa

Keyword(s):

Second Order ◽

Time Dependent ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Many Body ◽

Perturbation Approximation

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Extended Coupled Cluster Method: Quantum Many-Body Theory Made Classical

Condensed Matter Theories ◽

10.1007/978-1-4613-0917-8_41 ◽

1987 ◽

pp. 357-372 ◽

Cited By ~ 14

Author(s):

J. Arponen ◽

R. F. Bishop ◽

E. Pajanne

Keyword(s):

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Many Body ◽

Many Body Theory ◽

Body Theory ◽

Extended Coupled Cluster Method

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Can the coupled cluster method improve many-body perturbation theory reaction energies significantly? the H2CO → H2 + CO reaction

Chemical Physics Letters ◽

10.1016/0009-2614(87)85169-2 ◽

1987 ◽

Vol 135 (4-5) ◽

pp. 346-351 ◽

Cited By ~ 11

Author(s):

Miroslav Urban ◽

Vladimir Kellö ◽

Ivan Černušák ◽

Jozef Noga ◽

Geerd H.F. Diercksen

Keyword(s):

Perturbation Theory ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Many Body ◽

Many Body Perturbation Theory ◽

Reaction Energies

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Optimized second-order correlation orbital manifold for single excitations in the coupled-cluster method

International Journal of Quantum Chemistry ◽

10.1002/qua.560400810 ◽

1991 ◽

Vol 40 (S25) ◽

pp. 71-80 ◽

Cited By ~ 5

Author(s):

Ludwik Adamowicz

Keyword(s):

Second Order ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method

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Many‐body methods for excited state potential energy surfaces. II. Analytic second derivatives for excited state energies in the equation‐of‐motion coupled cluster method

The Journal of Chemical Physics ◽

10.1063/1.470083 ◽

1995 ◽

Vol 103 (20) ◽

pp. 8931-8943 ◽

Cited By ~ 33

Author(s):

John F. Stanton ◽

Jürgen Gauss

Keyword(s):

Excited State ◽

Potential Energy Surfaces ◽

Equation Of Motion ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Many Body ◽

Second Derivatives ◽

State Potential ◽

Energy Surfaces

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A Similarity Transformed Second-order Approximate Coupled Cluster Method for the Excited States: Theory, Implementation, and Benchmark

The Journal of Chemical Physics ◽

10.1063/5.0064889 ◽

2021 ◽

Author(s):

Soumi Haldar ◽

Tamoghna Mukhopadhyay ◽

Achintya Kumar Dutta

Keyword(s):

Excited States ◽

Second Order ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method

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Time-dependent optimized coupled-cluster method for multielectron dynamics. IV. Approximate consideration of the triple excitation amplitudes

The Journal of Chemical Physics ◽

10.1063/5.0054743 ◽

2021 ◽

Vol 154 (23) ◽

pp. 234104

Author(s):

Himadri Pathak ◽

Takeshi Sato ◽

Kenichi L. Ishikawa

Keyword(s):

Time Dependent ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Triple Excitation

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Many-body theory in terms of effective interactions and its relation to coupled-cluster method

Nuclear Physics A ◽

10.1016/0375-9474(94)90770-6 ◽

1994 ◽

Vol 580 (2) ◽

pp. 213-235 ◽

Cited By ~ 8

Author(s):

K. Suzuki ◽

R. Okamoto ◽

H. Kumagai

Keyword(s):

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Many Body ◽

Effective Interactions ◽

Many Body Theory ◽

Body Theory

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Many‐body methods for excited state potential energy surfaces. I. General theory of energy gradients for the equation‐of‐motion coupled‐cluster method

The Journal of Chemical Physics ◽

10.1063/1.465552 ◽

1993 ◽

Vol 99 (11) ◽

pp. 8840-8847 ◽

Cited By ~ 142

Author(s):

John F. Stanton

Keyword(s):

Excited State ◽

General Theory ◽

Potential Energy Surfaces ◽

Equation Of Motion ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Many Body ◽

State Potential ◽

Energy Surfaces

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Benchmarking the Approximate Second-Order Coupled-Cluster Method on Biochromophores

Journal of Chemical Theory and Computation ◽

10.1021/ct200215d ◽

2011 ◽

Vol 7 (8) ◽

pp. 2473-2484 ◽

Cited By ~ 37

Author(s):

Robert Send ◽

Ville R. I. Kaila ◽

Dage Sundholm

Keyword(s):

Second Order ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method

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Time‐dependent coupled cluster method: A new approach to the calculation of molecular absorption spectra

The Journal of Chemical Physics ◽

10.1063/1.454399 ◽

1988 ◽

Vol 88 (11) ◽

pp. 7005-7010 ◽

Cited By ~ 24

Author(s):

M. Durga Prasad

Keyword(s):

Absorption Spectra ◽

Time Dependent ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Molecular Absorption ◽

New Approach

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