Two-body zeroth order Hamiltonians in multireference perturbation theory: The APSG reference state

Edina Rosta; Péter R. Surján

doi:10.1063/1.1427918

Two-body zeroth order Hamiltonians in multireference perturbation theory: The APSG reference state

The Journal of Chemical Physics ◽

10.1063/1.1427918 ◽

2002 ◽

Vol 116 (3) ◽

pp. 878-890 ◽

Cited By ~ 80

Author(s):

Edina Rosta ◽

Péter R. Surján

Keyword(s):

Perturbation Theory ◽

Reference State ◽

Zeroth Order ◽

Multireference Perturbation Theory

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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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The 1Δg Dioxygen Ene Reaction with Propene: A Density Functional and Multireference Perturbation Theory Mechanistic Study

Chemistry - A European Journal ◽

10.1002/chem.200204522 ◽

2003 ◽

Vol 9 (11) ◽

pp. 2616-2626 ◽

Cited By ~ 13

Author(s):

Andrea Maranzana ◽

Giovanni Ghigo ◽

Glauco Tonachini

Keyword(s):

Perturbation Theory ◽

Density Functional ◽

Mechanistic Study ◽

Multireference Perturbation Theory ◽

Ene Reaction

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Quasidegenerate many‐body perturbation theory with self‐consistently adapted core reference state (SCA QD MBPT). I. Theoretical formulation and its application to the potential energy curve of the ground state of Li2

The Journal of Chemical Physics ◽

10.1063/1.450256 ◽

1986 ◽

Vol 84 (6) ◽

pp. 3260-3270 ◽

Cited By ~ 5

Author(s):

Ivan Hubač ◽

Michal Svrček ◽

Anna Balková

Keyword(s):

Perturbation Theory ◽

Potential Energy ◽

Ground State ◽

Potential Energy Curve ◽

Reference State ◽

Energy Curve ◽

Many Body ◽

Theoretical Formulation ◽

Many Body Perturbation Theory

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Convergence behavior of multireference perturbation theory: Forced degeneracy and optimization partitioning applied to the beryllium atom

Physical Review A ◽

10.1103/physreva.54.343 ◽

1996 ◽

Vol 54 (1) ◽

pp. 343-356 ◽

Cited By ~ 53

Author(s):

James P. Finley ◽

Rajat K. Chaudhuri ◽

Karl F. Freed

Keyword(s):

Perturbation Theory ◽

Multireference Perturbation Theory ◽

Convergence Behavior

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Resonance Raman spectra of uracil based on Kramers–Kronig relations using time-dependent density functional calculations and multireference perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.1697371 ◽

2004 ◽

Vol 120 (24) ◽

pp. 11564-11577 ◽

Cited By ~ 62

Author(s):

Johannes Neugebauer ◽

Bernd A. Hess

Keyword(s):

Perturbation Theory ◽

Raman Spectra ◽

Density Functional Calculations ◽

Density Functional ◽

Resonance Raman ◽

Time Dependent ◽

Multireference Perturbation Theory ◽

Resonance Raman Spectra ◽

Dependent Density

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Benchmark Studies of Spectroscopic Parameters for Hydrogen Halide Series via Scalar Relativistic State-Specic Multireference Perturbation Theory

Concepts and Methods in Modern Theoretical Chemistry ◽

10.1201/b14048-14 ◽

2016 ◽

pp. 156-171

Keyword(s):

Perturbation Theory ◽

Hydrogen Halide ◽

Multireference Perturbation Theory ◽

Spectroscopic Parameters

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Investigation of Low-Lying States of Oxygen Molecule via Second-Order Multireference Perturbation Theory: A State-Specific Approach

The Journal of Physical Chemistry A ◽

10.1021/jp810910n ◽

2009 ◽

Vol 113 (20) ◽

pp. 5972-5984 ◽

Cited By ~ 12

Author(s):

Sudip Chattopadhyay ◽

Uttam Sinha Mahapatra ◽

Rajat K. Chaudhuri

Keyword(s):

Perturbation Theory ◽

Oxygen Molecule ◽

Second Order ◽

Multireference Perturbation Theory ◽

Specific Approach

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Improved stochastic multireference perturbation theory for correlated systems with large active spaces

Molecular Physics ◽

10.1080/00268976.2020.1802072 ◽

2020 ◽

Vol 118 (19-20) ◽

pp. e1802072 ◽

Cited By ~ 2

Author(s):

James J. Halson ◽

Robert J. Anderson ◽

George H. Booth

Keyword(s):

Perturbation Theory ◽

Correlated Systems ◽

Multireference Perturbation Theory

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Convergence behaviour of multireference perturbation theory: an indicator

Molecular Physics ◽

10.1080/002689797172002 ◽

1997 ◽

Vol 90 (6) ◽

pp. 1007-1012 ◽

Cited By ~ 3

Author(s):

HUUB J. J. VAN DAM ◽

JOOP H. VAN LENTHE

Keyword(s):

Perturbation Theory ◽

Multireference Perturbation Theory ◽

Convergence Behaviour

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Molecular gradients for the second-order generalized Van Vleck variant of multireference perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.1579467 ◽

2003 ◽

Vol 119 (2) ◽

pp. 651-660 ◽

Cited By ~ 22

Author(s):

Timothy J. Dudley ◽

Yuriy G. Khait ◽

Mark R. Hoffmann

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Multireference Perturbation Theory ◽

Van Vleck

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