Analytic energy gradients for general coupled‐cluster methods and fourth‐order many‐body perturbation theory

George Fitzgerald; Robert J. Harrison; Rodney J. Bartlett

doi:10.1063/1.451823

Analytic energy gradients for general coupled‐cluster methods and fourth‐order many‐body perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.451823 ◽

1986 ◽

Vol 85 (9) ◽

pp. 5143-5150 ◽

Cited By ~ 85

Author(s):

George Fitzgerald ◽

Robert J. Harrison ◽

Rodney J. Bartlett

Keyword(s):

Perturbation Theory ◽

Fourth Order ◽

Coupled Cluster ◽

Many Body ◽

Coupled Cluster Methods ◽

Many Body Perturbation Theory ◽

Cluster Methods

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Electric dipole hyperpolarizability and quadrupole polarizability of methane from finite-field coupled cluster and fourth-order many-body perturbation theory calculations

Chemical Physics Letters ◽

10.1016/0009-2614(94)00719-5 ◽

1994 ◽

Vol 226 (3-4) ◽

pp. 420-426 ◽

Cited By ~ 70

Author(s):

George Maroulis

Keyword(s):

Perturbation Theory ◽

Finite Field ◽

Fourth Order ◽

Electric Dipole ◽

Coupled Cluster ◽

Many Body ◽

Many Body Perturbation Theory

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Cooperative effects in hydrogen bonding: Fourth‐order many‐body perturbation theory studies of water oligomers and of an infinite water chain as a model for ice

The Journal of Chemical Physics ◽

10.1063/1.467942 ◽

1994 ◽

Vol 101 (11) ◽

pp. 9766-9782 ◽

Cited By ~ 48

Author(s):

Sándor Suhai

Keyword(s):

Hydrogen Bonding ◽

Perturbation Theory ◽

Fourth Order ◽

Many Body ◽

Cooperative Effects ◽

Water Chain ◽

Many Body Perturbation Theory

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Table 41. H2 16O (H16OH): Potential Energy Surface (PES) for various Coupled Cluster/Many-Body Perturbation Theory (CC/MBPT) models

Non-linear Triatomic Molecules ◽

10.1007/978-3-540-47383-1_43 ◽

2012 ◽

pp. 135-136

Author(s):

G. Guelachvili ◽

N. Picqué

Keyword(s):

Perturbation Theory ◽

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Coupled Cluster ◽

Many Body ◽

Many Body Perturbation Theory

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New Developments in Many Body Perturbation Theory and Coupled Cluster Theory

Conceptual Perspectives in Quantum Chemistry ◽

10.1007/978-94-011-5572-4_8 ◽

1997 ◽

pp. 239-318 ◽

Cited By ~ 4

Author(s):

Dieter Cremer ◽

Zhi He

Keyword(s):

Perturbation Theory ◽

Coupled Cluster ◽

Many Body ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

New Developments ◽

Many Body Perturbation Theory

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A fourth-order many-body perturbation theory calculation of the first and second electric dipole hyperpolarizability of ammonia

Chemical Physics Letters ◽

10.1016/0009-2614(92)85914-v ◽

1992 ◽

Vol 195 (1) ◽

pp. 85-91 ◽

Cited By ~ 22

Author(s):

George Maroulis

Keyword(s):

Perturbation Theory ◽

Fourth Order ◽

Electric Dipole ◽

Many Body ◽

Many Body Perturbation Theory ◽

Theory Calculation

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Many-body perturbation theory for open-shell systems. Expansion through fourth-order

Theoretica Chimica Acta ◽

10.1007/bf00550413 ◽

1982 ◽

Vol 61 (4) ◽

pp. 343-361 ◽

Cited By ~ 8

Author(s):

Stephen Wilson

Keyword(s):

Perturbation Theory ◽

Fourth Order ◽

Open Shell ◽

Many Body ◽

Many Body Perturbation Theory

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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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Properties of the BCl molecule studied by fourth-order many-body perturbation theory

International Journal of Quantum Chemistry ◽

10.1002/qua.560320760 ◽

1987 ◽

Vol 32 (S21) ◽

pp. 595-602 ◽

Cited By ~ 8

Author(s):

Florian M�ller-Plathe ◽

Geerd H. F. Diercksen

Keyword(s):

Perturbation Theory ◽

Fourth Order ◽

Many Body ◽

Many Body Perturbation Theory

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Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules

Annual Review of Physical Chemistry ◽

10.1146/annurev.pc.32.100181.002043 ◽

1981 ◽

Vol 32 (1) ◽

pp. 359-401 ◽

Cited By ~ 1617

Author(s):

R J Bartlett

Keyword(s):

Perturbation Theory ◽

Electron Correlation ◽

Coupled Cluster ◽

Many Body ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Many Body Perturbation Theory

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Erratum: Multipole moments, polarizabilities, and hyperpolarizabilities for N2 from fourth‐order many‐body perturbation theory calculations [J. Chem. Phys. 88, 7623 (1988)]

The Journal of Chemical Physics ◽

10.1063/1.455737 ◽

1988 ◽

Vol 89 (10) ◽

pp. 6558-6558 ◽

Cited By ~ 10

Author(s):

George Maroulis ◽

Ajit J. Thakkar

Keyword(s):

Perturbation Theory ◽

Fourth Order ◽

Chem Phys ◽

Multipole Moments ◽

Many Body ◽

Many Body Perturbation Theory

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