Nonstationary perturbation theory for open-shell molecules

Yu. B. Malykhanov

doi:10.1007/bf00524305

Nonstationary perturbation theory for open-shell molecules

Theoretical and Experimental Chemistry ◽

10.1007/bf00524305 ◽

1985 ◽

Vol 21 (1) ◽

pp. 17-25

Author(s):

Yu. B. Malykhanov

Keyword(s):

Perturbation Theory ◽

Open Shell ◽

Nonstationary Perturbation

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Analytical results for state-to-state transition probabilities in the multistate Landau-Zener model by nonstationary perturbation theory

Physical Review A ◽

10.1103/physreva.75.022105 ◽

2007 ◽

Vol 75 (2) ◽

Cited By ~ 15

Author(s):

M. V. Volkov ◽

V. N. Ostrovsky

Keyword(s):

Perturbation Theory ◽

State Transition ◽

Transition Probabilities ◽

Zener Model ◽

Nonstationary Perturbation ◽

Analytical Results

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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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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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Linked-Cluster Perturbation Theory for Closed- and Open-Shell Systems

Advances in Quantum Chemistry - Advances in Quantum Chemistry Volume 10 ◽

10.1016/s0065-3276(08)60581-x ◽

1977 ◽

pp. 187-249 ◽

Cited By ~ 135

Author(s):

B.H. Brandow

Keyword(s):

Perturbation Theory ◽

Open Shell ◽

Cluster Perturbation Theory

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Generalized Møller–Plesset Multiconfiguration Perturbation Theory Applied to an Open-Shell Antisymmetric Product of Strongly Orthogonal Geminals Reference Wave Function

Journal of Chemical Theory and Computation ◽

10.1021/ct300789a ◽

2012 ◽

Vol 8 (11) ◽

pp. 4330-4335 ◽

Cited By ~ 10

Author(s):

Moto Tarumi ◽

Masato Kobayashi ◽

Hiromi Nakai

Keyword(s):

Wave Function ◽

Perturbation Theory ◽

Open Shell ◽

Reference Wave ◽

Moller Plesset

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Comparison and assessment of different forms of open shell perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.463680 ◽

1992 ◽

Vol 97 (9) ◽

pp. 6509-6516 ◽

Cited By ~ 44

Author(s):

Christopher W. Murray ◽

Nicholas C. Handy

Keyword(s):

Perturbation Theory ◽

Open Shell

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Many-Body Perturbation Theory Applied to Open-Shell Atoms

Physical Review ◽

10.1103/physrev.144.39 ◽

1966 ◽

Vol 144 (1) ◽

pp. 39-55 ◽

Cited By ~ 188

Author(s):

Hugh P. Kelly

Keyword(s):

Perturbation Theory ◽

Open Shell ◽

Many Body ◽

Many Body Perturbation Theory

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The subtleties of explicitly correlated Z-averaged perturbation theory: Choosing an R12 method for high-spin open-shell molecules

The Journal of Chemical Physics ◽

10.1063/1.3269031 ◽

2009 ◽

Vol 131 (24) ◽

pp. 244116 ◽

Cited By ~ 13

Author(s):

Jeremiah J. Wilke ◽

Henry F. Schaefer

Keyword(s):

Perturbation Theory ◽

High Spin ◽

Open Shell ◽

Explicitly Correlated

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Perturbation theory for open shell systems

Chemical Physics Letters ◽

10.1016/0009-2614(91)80281-2 ◽

1991 ◽

Vol 187 (5) ◽

pp. 451-454 ◽

Cited By ~ 114

Author(s):

Christopher Murray ◽

Ernest R. Davidson

Keyword(s):

Perturbation Theory ◽

Open Shell

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Auxiliary Density Perturbation Theory for Restricted Open-Shell Systems

Journal of the Mexican Chemical Society ◽

10.29356/jmcs.v56i3.297 ◽

2017 ◽

Vol 56 (3) ◽

Cited By ~ 1

Author(s):

Gregorio Guzmán-Ramírez ◽

Francisco José Tenorio ◽

Jaime Gustavo Rodríguez-Zavala ◽

Roberto Flores-Moreno

Keyword(s):

Perturbation Theory ◽

Linear Equation ◽

Density Perturbation ◽

Equation System ◽

Open Shell ◽

Chem Phys ◽

Auxiliary Function ◽

Molecular Properties ◽

Linear Equation System ◽

First Time

The recently developed approach to auxiliary density perturbation theory (J. Chem. Phys. 2008, 128, 134105) for the purpose of calculating molecular properties is here extended to include open-shell systems. Both unrestricted and restricted formalisms are considered. A linear equation system, twice as large as the auxiliary function set is obtained in both cases. For the first time, the formulation for auxiliary density perturbation theory for restricted open-shell formalism is derived.

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