Erratum: “Unitary group adapted state-specific multi-reference coupled cluster theory: Formulation and pilot numerical applications” [J. Chem. Phys. 137, 024105 (2012)]

Rahul Maitra; Debalina Sinha; Debashis Mukherjee

doi:10.1063/1.4847835

Erratum: “Unitary group adapted state-specific multi-reference coupled cluster theory: Formulation and pilot numerical applications” [J. Chem. Phys. 137, 024105 (2012)]

The Journal of Chemical Physics ◽

10.1063/1.4847835 ◽

2013 ◽

Vol 139 (22) ◽

pp. 229903 ◽

Cited By ~ 2

Author(s):

Rahul Maitra ◽

Debalina Sinha ◽

Debashis Mukherjee

Keyword(s):

Unitary Group ◽

Chem Phys ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Theory Formulation

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Unitary group adapted state-specific multi-reference coupled cluster theory: Formulation and pilot numerical applications

The Journal of Chemical Physics ◽

10.1063/1.4731341 ◽

2012 ◽

Vol 137 (2) ◽

pp. 024105 ◽

Cited By ~ 30

Author(s):

Rahul Maitra ◽

Debalina Sinha ◽

Debashis Mukherjee

Keyword(s):

Unitary Group ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Theory Formulation

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Erratum: “Coupled cluster theory for high spin, open shell reference wave functions” [ J. Chem. Phys. 99, 5219 (1993)]

The Journal of Chemical Physics ◽

10.1063/1.480886 ◽

2000 ◽

Vol 112 (6) ◽

pp. 3106-3107 ◽

Cited By ~ 468

Author(s):

Peter J. Knowles ◽

Claudia Hampel ◽

Hans-Joachim Werner

Keyword(s):

High Spin ◽

Open Shell ◽

Chem Phys ◽

Wave Functions ◽

Reference Wave ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory

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Publisher’s Note: “Coupled-cluster theory based upon the fragment molecular-orbital method” [J. Chem. Phys. 123, 134103 (2005)]

The Journal of Chemical Physics ◽

10.1063/1.2171962 ◽

2006 ◽

Vol 124 (7) ◽

pp. 079904 ◽

Cited By ~ 2

Author(s):

Dmitri G. Fedorov ◽

Kazuo Kitaura

Keyword(s):

Molecular Orbital ◽

Chem Phys ◽

Coupled Cluster ◽

Orbital Method ◽

Molecular Orbital Method ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Fragment Molecular Orbital

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A size consistent unitary group approach Multi-reference linear coupled cluster theory

Molecular Physics ◽

10.1080/00268978300102861 ◽

1983 ◽

Vol 50 (5) ◽

pp. 1077-1082 ◽

Cited By ~ 45

Author(s):

Howard Baker ◽

Michael A. Robb

Keyword(s):

Unitary Group ◽

Coupled Cluster ◽

Group Approach ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Unitary Group Approach

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Unitary group approach to spin-adapted open-shell coupled cluster theory

International Journal of Quantum Chemistry ◽

10.1002/qua.560560302 ◽

1995 ◽

Vol 56 (3) ◽

pp. 129-155 ◽

Cited By ~ 60

Author(s):

Bogumi? Jeziorski ◽

Josef Paldus ◽

Piotr Jankowski

Keyword(s):

Unitary Group ◽

Open Shell ◽

Coupled Cluster ◽

Group Approach ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Unitary Group Approach

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Development and applications of a unitary group adapted state specific multi-reference coupled cluster theory with internally contracted treatment of inactive double excitations

The Journal of Chemical Physics ◽

10.1063/1.4747702 ◽

2012 ◽

Vol 137 (9) ◽

pp. 094104 ◽

Cited By ~ 14

Author(s):

Debalina Sinha ◽

Rahul Maitra ◽

Debashis Mukherjee

Keyword(s):

Unitary Group ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory

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Erratum: “Development of an efficient linear response approach to the Hilbert space multireference coupled-cluster theory” [J. Chem. Phys. 114, 1981 (2001)]

The Journal of Chemical Physics ◽

10.1063/1.1383588 ◽

2001 ◽

Vol 115 (4) ◽

pp. 1979-1979 ◽

Cited By ~ 17

Author(s):

K. R. Shamasundar ◽

Sourav Pal

Keyword(s):

Hilbert Space ◽

Linear Response ◽

Chem Phys ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory

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Accurate Prediction of Hyperfine Coupling Tensors for Main Group Elements Using a Unitary Group Based Rigorously Spin-Adapted Coupled-Cluster Theory

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.8b01048 ◽

2019 ◽

Vol 15 (3) ◽

pp. 1572-1592 ◽

Cited By ~ 5

Author(s):

Dipayan Datta ◽

Jürgen Gauss

Keyword(s):

Unitary Group ◽

Hyperfine Coupling ◽

Main Group ◽

Accurate Prediction ◽

Coupled Cluster ◽

Main Group Elements ◽

Coupled Cluster Theory ◽

Cluster Theory

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Erratum: “Inactive excitations in Mukherjee's state-specific multireference coupled cluster theory treated with internal contraction: Development and applications” [J. Chem. Phys. 136, 164104 (2012)]

The Journal of Chemical Physics ◽

10.1063/1.4745078 ◽

2012 ◽

Vol 137 (6) ◽

pp. 069901 ◽

Cited By ~ 1

Author(s):

Sanghamitra Das ◽

Shubhrodeep Pathak ◽

Dipayan Datta ◽

Debashis Mukherjee

Keyword(s):

Chem Phys ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory

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Inclusion of orbital relaxation and correlation through the unitary group adapted open shell coupled cluster theory using non-relativistic and scalar relativistic Hamiltonians to study the core ionization potential of molecules containing light to medium-heavy elements

The Journal of Chemical Physics ◽

10.1063/1.5018086 ◽

2018 ◽

Vol 148 (5) ◽

pp. 054107 ◽

Cited By ~ 4

Author(s):

Sangita Sen ◽

Avijit Shee ◽

Debashis Mukherjee

Keyword(s):

Ionization Potential ◽

Unitary Group ◽

Open Shell ◽

Heavy Elements ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

The Core ◽

Orbital Relaxation

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