A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. I. General formalism and application to open-shell states

R. P. Miranda; A. J. Fisher; L. Stella; A. P. Horsfield

doi:10.1063/1.3600397

A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. I. General formalism and application to open-shell states

The Journal of Chemical Physics ◽

10.1063/1.3600397 ◽

2011 ◽

Vol 134 (24) ◽

pp. 244101 ◽

Cited By ~ 41

Author(s):

R. P. Miranda ◽

A. J. Fisher ◽

L. Stella ◽

A. P. Horsfield

Keyword(s):

Electronic States ◽

Open Shell ◽

Time Dependent ◽

Excited Electronic States ◽

Hartree Fock

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A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. II. Coulomb interaction effects in single conjugated polymer chains

The Journal of Chemical Physics ◽

10.1063/1.3600404 ◽

2011 ◽

Vol 134 (24) ◽

pp. 244102 ◽

Cited By ~ 16

Author(s):

R. P. Miranda ◽

A. J. Fisher ◽

L. Stella ◽

A. P. Horsfield

Keyword(s):

Coulomb Interaction ◽

Conjugated Polymer ◽

Electronic States ◽

Interaction Effects ◽

Polymer Chains ◽

Time Dependent ◽

Excited Electronic States ◽

Hartree Fock ◽

Conjugated Polymer Chains

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Excited electronic states of alternant .pi.-electron systems from projected Unrestricted Hartree-Fock theory

The Journal of Physical Chemistry ◽

10.1021/j100517a014 ◽

1977 ◽

Vol 81 (2) ◽

pp. 167-171 ◽

Cited By ~ 5

Author(s):

John C. Schug ◽

Dana A. Brewer

Keyword(s):

Electronic States ◽

Electron Systems ◽

Excited Electronic States ◽

Hartree Fock

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Scaled Hartree-Fock orbitals for perturbation treatment of ground and excited electronic states

Physical Review A ◽

10.1103/physreva.38.6059 ◽

1988 ◽

Vol 38 (12) ◽

pp. 6059-6065 ◽

Cited By ~ 5

Author(s):

R. Sawatzki ◽

L. S. Cederbaum

Keyword(s):

Electronic States ◽

Excited Electronic States ◽

Hartree Fock

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Excited electronic states of carotenoids: Time-dependent density-matrix-response algorithm

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1998)70:4/5<711::aid-qua17>3.0.co;2-4 ◽

1998 ◽

Vol 70 (4-5) ◽

pp. 711-727 ◽

Cited By ~ 16

Author(s):

Sergei Tretiak ◽

Vladimir Chernyak ◽

Shaul Mukamel

Keyword(s):

Density Matrix ◽

Electronic States ◽

Time Dependent ◽

Excited Electronic States ◽

Dependent Density

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Frequency-dependent second hyperpolarizabilities in the time-dependent restricted open-shell Hartree–Fock theory: Application to the Li, Na, K, and N atoms

The Journal of Chemical Physics ◽

10.1063/1.481422 ◽

2000 ◽

Vol 112 (18) ◽

pp. 7903-7918 ◽

Cited By ~ 7

Author(s):

Takao Kobayashi ◽

Kotoku Sasagane ◽

Kizashi Yamaguchi

Keyword(s):

Open Shell ◽

Time Dependent ◽

Frequency Dependent ◽

Hartree Fock ◽

Theory Application

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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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Molecular Dynamics in Excited Electronic States - Time-Dependent Wavepacket Studies

Femtosecond Chemistry ◽

10.1002/9783527619436.ch8 ◽

2008 ◽

pp. 299-319 ◽

Cited By ~ 12

Author(s):

Reinhard Schinke ◽

J. Robert Huber

Keyword(s):

Molecular Dynamics ◽

Electronic States ◽

Time Dependent ◽

Excited Electronic States

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Time dependent calculations of the absorption spectrum of a photodissociating system with two interacting excited electronic states

The Journal of Chemical Physics ◽

10.1063/1.455952 ◽

1989 ◽

Vol 90 (5) ◽

pp. 2555-2569 ◽

Cited By ~ 59

Author(s):

Xue‐Pei Jiang ◽

Robert Heather ◽

Horia Metiu

Keyword(s):

Absorption Spectrum ◽

Electronic States ◽

Time Dependent ◽

Excited Electronic States

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Electronic Excitations of Open Shell Systems in the Grand Canonical and Canonical Time‐Dependent Hartree‐Fock Models. Applications on Hydrocarbon Radical Ions

The Journal of Chemical Physics ◽

10.1063/1.1678159 ◽

1972 ◽

Vol 57 (11) ◽

pp. 4884-4892 ◽

Cited By ~ 18

Author(s):

Poul Jo/rgensen

Keyword(s):

Open Shell ◽

Time Dependent ◽

Electronic Excitations ◽

Hydrocarbon Radical ◽

Radical Ions ◽

Hartree Fock ◽

Grand Canonical

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Time‐dependent theory of Raman scattering for systems with several excited electronic states: Application to a H+3 model system

The Journal of Chemical Physics ◽

10.1063/1.456265 ◽

1989 ◽

Vol 90 (12) ◽

pp. 6903-6915 ◽

Cited By ~ 42

Author(s):

Robert Heather ◽

Horia Metiu

Keyword(s):

Raman Scattering ◽

Electronic States ◽

Model System ◽

Time Dependent ◽

Excited Electronic States ◽

Dependent Theory

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