Unitary group based state‐selective coupled‐cluster method: Comparison of the first order interacting space and the full single and double excitation space approximations

Xiangzhu Li; Josef Paldus

doi:10.1063/1.468943

Unitary group based state‐selective coupled‐cluster method: Comparison of the first order interacting space and the full single and double excitation space approximations

The Journal of Chemical Physics ◽

10.1063/1.468943 ◽

1995 ◽

Vol 102 (22) ◽

pp. 8897-8905 ◽

Cited By ~ 30

Author(s):

Xiangzhu Li ◽

Josef Paldus

Keyword(s):

Unitary Group ◽

Method Comparison ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Double Excitation ◽

First Order

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Unitary group based open-shell coupled cluster method with corrections for connected triexcited clusters. II. Applications

Molecular Physics ◽

10.1080/00268979809482293 ◽

1998 ◽

Vol 94 (1) ◽

pp. 41-54 ◽

Cited By ~ 12

Author(s):

XIANGZHU LI ◽

JOSEF PALDUS

Keyword(s):

Unitary Group ◽

Open Shell ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method

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Unitary group based coupled cluster method for open-shell singlets: application to the a1Δ state of OH+

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(00)00489-9 ◽

2000 ◽

Vol 527 (1-3) ◽

pp. 165-172 ◽

Cited By ~ 3

Author(s):

X. Li ◽

J. Paldus

Keyword(s):

Unitary Group ◽

Open Shell ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method

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NNOHCl complex. Ab initio calculations with the coupled cluster method and first-order correlation orbitals

Chemical Physics Letters ◽

10.1016/0009-2614(91)90162-3 ◽

1991 ◽

Vol 176 (2) ◽

pp. 249-254 ◽

Cited By ~ 4

Author(s):

Ludwik Adamowicz

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

First Order

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Unitary group based state specific open‐shell‐singlet coupled‐cluster method: Application to ozone and comparison with Hilbert and Fock space theories

The Journal of Chemical Physics ◽

10.1063/1.469005 ◽

1995 ◽

Vol 102 (20) ◽

pp. 8059-8070 ◽

Cited By ~ 25

Author(s):

Xiangzhu Li ◽

Josef Paldus

Keyword(s):

Unitary Group ◽

Fock Space ◽

Open Shell ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method

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Diatomic chromium (Cr2): application of the coupled cluster method including all single and double excitation (CCSD)

Chemical Physics Letters ◽

10.1016/s0009-2614(90)87186-u ◽

1990 ◽

Vol 174 (5) ◽

pp. 501-503 ◽

Cited By ~ 27

Author(s):

Gustavo E. Scuseria ◽

Henry F. Schaefer

Keyword(s):

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Double Excitation

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Relative stability of cytosine tautomers with the coupled cluster method and first-order correlation orbitals

The Journal of Physical Chemistry ◽

10.1021/j100347a028 ◽

1989 ◽

Vol 93 (10) ◽

pp. 4001-4005 ◽

Cited By ~ 42

Author(s):

Andrzej Les ◽

Ludwik Adamowicz ◽

Rodney J. Bartlett

Keyword(s):

Relative Stability ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

First Order

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NNO-HCN complex. Ab initio calculations with the coupled cluster method and first-order correlation orbitals

Chemical Physics ◽

10.1016/0301-0104(92)87044-a ◽

1992 ◽

Vol 165 (2-3) ◽

pp. 281-286 ◽

Cited By ~ 1

Author(s):

Ludwik Adamowicz

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

First Order

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Fourth-order perturbative extension of the single-double excitation coupled-cluster method

Physical Review A ◽

10.1103/physreva.66.012503 ◽

2002 ◽

Vol 66 (1) ◽

Cited By ~ 26

Author(s):

Andrei Derevianko ◽

Erik D. Emmons

Keyword(s):

Fourth Order ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Double Excitation

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The infrared spectrum of cyclotetraoxygen, O4: A theoretical investigation employing the single and double excitation coupled cluster method

The Journal of Chemical Physics ◽

10.1063/1.458380 ◽

1990 ◽

Vol 92 (10) ◽

pp. 6077-6080 ◽

Cited By ~ 30

Author(s):

Kevin M. Dunn ◽

Gustavo E. Scuseria ◽

Henry F. Schaefer

Keyword(s):

Infrared Spectrum ◽

Theoretical Investigation ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Double Excitation

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Bivariational coupled-cluster method: Equations for first-order property

Physical Review A ◽

10.1103/physreva.36.1539 ◽

1987 ◽

Vol 36 (4) ◽

pp. 1539-1543 ◽

Cited By ~ 11

Author(s):

Keya Basu-Ghose ◽

Sourav Pal

Keyword(s):

Cluster Method ◽

Coupled Cluster ◽

Order Property ◽

Coupled Cluster Method ◽

First Order

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