Hermitian second-order methods for excited electronic states: Unitary coupled cluster in comparison with algebraic–diagrammatic construction schemes

Manuel Hodecker; Dirk R. Rehn; Andreas Dreuw

doi:10.1063/1.5142354

Hermitian second-order methods for excited electronic states: Unitary coupled cluster in comparison with algebraic–diagrammatic construction schemes

The Journal of Chemical Physics ◽

10.1063/1.5142354 ◽

2020 ◽

Vol 152 (9) ◽

pp. 094106 ◽

Cited By ~ 5

Author(s):

Manuel Hodecker ◽

Dirk R. Rehn ◽

Andreas Dreuw

Keyword(s):

Electronic States ◽

Second Order ◽

Coupled Cluster ◽

Excited Electronic States ◽

Second Order Methods

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The two‐determinant coupled‐cluster method for electric properties of excited electronic states: The lowest1B1and3B1states of the water molecule

The Journal of Chemical Physics ◽

10.1063/1.465668 ◽

1993 ◽

Vol 99 (10) ◽

pp. 7907-7915 ◽

Cited By ~ 36

Author(s):

Anna Balková ◽

Rodney J. Bartlett

Keyword(s):

Water Molecule ◽

Electronic States ◽

Electric Properties ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Excited Electronic States

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The active-space equation-of-motion coupled-cluster methods for excited electronic states: Full EOMCCSDt

The Journal of Chemical Physics ◽

10.1063/1.1378323 ◽

2001 ◽

Vol 115 (2) ◽

pp. 643-651 ◽

Cited By ~ 205

Author(s):

Karol Kowalski ◽

Piotr Piecuch

Keyword(s):

Electronic States ◽

Equation Of Motion ◽

Coupled Cluster ◽

Excited Electronic States ◽

Active Space ◽

Coupled Cluster Methods ◽

Cluster Methods ◽

Space Equation

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Coupled-cluster theory for excited electronic states: The full equation-of-motion coupled-cluster single, double, and triple excitation method

The Journal of Chemical Physics ◽

10.1063/1.1416173 ◽

2001 ◽

Vol 115 (18) ◽

pp. 8263-8266 ◽

Cited By ~ 173

Author(s):

Stanisław A. Kucharski ◽

Marta Włoch ◽

Monika Musiał ◽

Rodney J. Bartlett

Keyword(s):

Electronic States ◽

Equation Of Motion ◽

Coupled Cluster ◽

Excited Electronic States ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Full Equation ◽

Triple Excitation ◽

Excitation Method

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New coupled-cluster methods with singles, doubles, and noniterative triples for high accuracy calculations of excited electronic states

The Journal of Chemical Physics ◽

10.1063/1.1632474 ◽

2004 ◽

Vol 120 (4) ◽

pp. 1715-1738 ◽

Cited By ~ 251

Author(s):

Karol Kowalski ◽

Piotr Piecuch

Keyword(s):

Electronic States ◽

High Accuracy ◽

Coupled Cluster ◽

Excited Electronic States ◽

Coupled Cluster Methods ◽

Cluster Methods

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NONITERATIVE COUPLED-CLUSTER METHODS FOR EXCITED ELECTRONIC STATES

Recent Advances in the Theory of Chemical and Physical Systems - Progress in Theoretical Chemistry and Physics ◽

10.1007/1-4020-4528-x_3 ◽

2006 ◽

pp. 45-106 ◽

Cited By ~ 5

Author(s):

PIOTR PIECUCH ◽

MARTA LOCH ◽

MARICRIS LODRIGUITO ◽

JEFFREY R. GOUR

Keyword(s):

Electronic States ◽

Coupled Cluster ◽

Excited Electronic States ◽

Coupled Cluster Methods ◽

Cluster Methods

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Extension of renormalized coupled-cluster methods including triple excitations to excited electronic states of open-shell molecules

The Journal of Chemical Physics ◽

10.1063/1.1924596 ◽

2005 ◽

Vol 122 (21) ◽

pp. 214107 ◽

Cited By ~ 97

Author(s):

Marta Włoch ◽

Jeffrey R. Gour ◽

Karol Kowalski ◽

Piotr Piecuch

Keyword(s):

Electronic States ◽

Open Shell ◽

Coupled Cluster ◽

Excited Electronic States ◽

Coupled Cluster Methods ◽

Cluster Methods

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Coupled Cluster Calculations of the Ground and Excited Electronic States Using Two- and Four-Component Relativistic Spinors

International Journal of Molecular Sciences ◽

10.3390/i4120586 ◽

2003 ◽

Vol 4 (12) ◽

pp. 586-594 ◽

Cited By ~ 3

Author(s):

Rajat Chaudhuri

Keyword(s):

Electronic States ◽

Coupled Cluster ◽

Excited Electronic States ◽

Cluster Calculations ◽

Coupled Cluster Calculations

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Transition moments between excited electronic states from the Hermitian formulation of the coupled cluster quadratic response function

The Journal of Chemical Physics ◽

10.1063/1.4973978 ◽

2017 ◽

Vol 146 (3) ◽

pp. 034108 ◽

Cited By ~ 3

Author(s):

Aleksandra M. Tucholska ◽

Michał Lesiuk ◽

Robert Moszynski

Keyword(s):

Response Function ◽

Electronic States ◽

Coupled Cluster ◽

Excited Electronic States ◽

Transition Moments ◽

Quadratic Response

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Multiconfiguration coupled-cluster calculations for excited electronic states: Applications to model systems

Chemical Physics ◽

10.1016/0301-0104(84)85047-8 ◽

1984 ◽

Vol 87 (2) ◽

pp. 215-221 ◽

Cited By ~ 29

Author(s):

Ajit Banerjee ◽

Jack Simons

Keyword(s):

Electronic States ◽

Model Systems ◽

Coupled Cluster ◽

Excited Electronic States ◽

Cluster Calculations ◽

Coupled Cluster Calculations

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The active-space equation-of-motion coupled-cluster methods for excited electronic states: The EOMCCSDt approach

The Journal of Chemical Physics ◽

10.1063/1.1318757 ◽

2000 ◽

Vol 113 (19) ◽

pp. 8490-8502 ◽

Cited By ~ 123

Author(s):

Karol Kowalski ◽

Piotr Piecuch

Keyword(s):

Electronic States ◽

Equation Of Motion ◽

Coupled Cluster ◽

Excited Electronic States ◽

Active Space ◽

Coupled Cluster Methods ◽

Cluster Methods ◽

Space Equation

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