Coupled-cluster and multireference configuration interaction study of the low-lying excited states of the H2O2-H2O complex

Roberto Linguerri; Joseph S. Francisco

doi:10.1063/1.4769284

Coupled-cluster and multireference configuration interaction study of the low-lying excited states of the H2O2-H2O complex

The Journal of Chemical Physics ◽

10.1063/1.4769284 ◽

2012 ◽

Vol 137 (21) ◽

pp. 214312 ◽

Cited By ~ 6

Author(s):

Roberto Linguerri ◽

Joseph S. Francisco

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Coupled Cluster ◽

Interaction Study

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Electronically Excited States of Higher Acenes up to Nonacene: A Density Functional Theory/Multireference Configuration Interaction Study

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.5b00671 ◽

2015 ◽

Vol 12 (1) ◽

pp. 305-312 ◽

Cited By ~ 26

Author(s):

Holger F. Bettinger ◽

Christina Tönshoff ◽

Markus Doerr ◽

Elsa Sanchez-Garcia

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Configuration Interaction ◽

Density Functional ◽

Interaction Study ◽

Functional Theory ◽

Electronically Excited States ◽

Electronically Excited

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Excited states of Na and Al iso-electronic ions: Symmetry adapted cluster-configuration interaction study

International Journal of Quantum Chemistry ◽

10.1002/qua.10037 ◽

2002 ◽

Vol 87 (2) ◽

pp. 81-88 ◽

Cited By ~ 2

Author(s):

A. K. Das ◽

M. Ehara ◽

H. Nakatsuji

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Interaction Study ◽

Cluster Configuration

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Excited States of SnSi: A Configuration Interaction Study

The Journal of Physical Chemistry A ◽

10.1021/jp103259y ◽

2010 ◽

Vol 114 (26) ◽

pp. 7248-7256 ◽

Cited By ~ 3

Author(s):

Susmita Chakrabarti ◽

Kalyan Kumar Das

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Interaction Study

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A coupled cluster and full configuration interaction study of CN and CN−

Chemical Physics Letters ◽

10.1016/j.cplett.2004.06.001 ◽

2004 ◽

Vol 393 (1-3) ◽

pp. 36-43 ◽

Cited By ~ 30

Author(s):

Lea Thøgersen ◽

Jeppe Olsen

Keyword(s):

Configuration Interaction ◽

Coupled Cluster ◽

Interaction Study ◽

Full Configuration Interaction

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Ionized and excited states of ferrocene: Symmetry adapted cluster–configuration–interaction study

The Journal of Chemical Physics ◽

10.1063/1.1504709 ◽

2002 ◽

Vol 117 (14) ◽

pp. 6533-6537 ◽

Cited By ~ 27

Author(s):

Kazuya Ishimura ◽

Masahiko Hada ◽

Hiroshi Nakatsuji

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Interaction Study ◽

Cluster Configuration

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Spin–orbit all-electron configuration interaction study on the electronic structure and radiative lifetimes of low-lying excited states of CdH

Chemical Physics Letters ◽

10.1016/j.cplett.2014.03.017 ◽

2014 ◽

Vol 599 ◽

pp. 51-56 ◽

Cited By ~ 9

Author(s):

Rui Li ◽

Zhen Zhai ◽

Xiaomei Zhang ◽

Mingxing Jin ◽

Haifeng Xu ◽

...

Keyword(s):

Electronic Structure ◽

Excited States ◽

Configuration Interaction ◽

Electron Configuration ◽

Spin Orbit ◽

Interaction Study ◽

Radiative Lifetimes

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A systematic approach to vertically excited states of ethylene using configuration interaction and coupled cluster techniques

The Journal of Chemical Physics ◽

10.1063/1.4894482 ◽

2014 ◽

Vol 141 (10) ◽

pp. 104302 ◽

Cited By ~ 19

Author(s):

David Feller ◽

Kirk A. Peterson ◽

Ernest R. Davidson

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Systematic Approach ◽

Coupled Cluster

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Ab initio configuration interaction study of excited states of LiNa3 and Li2Na2 clusters: Interpretation of absorption spectra

The Journal of Chemical Physics ◽

10.1063/1.462736 ◽

1992 ◽

Vol 96 (7) ◽

pp. 4934-4944 ◽

Cited By ~ 23

Author(s):

V. Bonačić‐Koutecký ◽

J. Gaus ◽

M. F. Guest ◽

J. Koutecký

Keyword(s):

Ab Initio ◽

Absorption Spectra ◽

Excited States ◽

Configuration Interaction ◽

Interaction Study

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Electronically excited states of chlorine monofluoride: A multi-reference configuration interaction study

Chemical Physics ◽

10.1016/0301-0104(88)87241-0 ◽

1988 ◽

Vol 121 (3) ◽

pp. 361-369 ◽

Cited By ~ 5

Author(s):

Katherine Valenta Darvesh ◽

Russell J. Boyd ◽

Sigrid D. Peyerimhoff

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Reference Configuration ◽

Interaction Study ◽

Electronically Excited States ◽

Electronically Excited

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Electronic-excited states of nitroanilines. II. A configuration interaction study and UV spectrum of the paranitroaniline single crystal

Chemical Physics ◽

10.1016/0301-0104(77)85143-4 ◽

1977 ◽

Vol 25 (3) ◽

pp. 333-341 ◽

Cited By ~ 37

Author(s):

F. Bertinelli ◽

P. Palmieri ◽

A. Brillante ◽

C. Taliani

Keyword(s):

Single Crystal ◽

Excited States ◽

Configuration Interaction ◽

Interaction Study ◽

Uv Spectrum ◽

Electronic Excited States

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