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Eric A. Perpète
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Journal Articles

Assessment of long-range corrected functionals performance for n → π * transitions in organic dyes

Denis Jacquemin, Eric A. Perpète, Oleg A. Vydrov, Gustavo E. Scuseria, Carlo Adamo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 127, 094102 (2007)
https://doi.org/10.1063/1.2770700
Published: September 2007
View article titled, Assessment of long-range corrected functionals performance for n → π * transitions in organic dyes
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Journal Articles

First hyperpolarizability of polymethineimine with long-range corrected functionals

Denis Jacquemin, Eric A. Perpète, Miroslav Medved’, Giovanni Scalmani, Michael J. Frisch, Rika Kobayashi, Carlo Adamo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 126, 191108 (2007)
https://doi.org/10.1063/1.2741246
Published: May 2007
View article titled, First hyperpolarizability of polymethineimine with long-range corrected functionals
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Journal Articles

Assessment of the efficiency of long-range corrected functionals for some properties of large compounds

Denis Jacquemin, Eric A. Perpète, Giovanni Scalmani, Michael J. Frisch, Rika Kobayashi, Carlo Adamo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 126, 144105 (2007)
https://doi.org/10.1063/1.2715573
Published: April 2007
View article titled, Assessment of the efficiency of long-range corrected functionals for some properties of large compounds
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Journal Articles

Time-dependent density functional theory investigation of the absorption, fluorescence, and phosphorescence spectra of solvated coumarins

Denis Jacquemin, Eric A. Perpète, Giovanni Scalmani, Michael J. Frisch, Xavier Assfeld, Ilaria Ciofini, Carlo Adamo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 125, 164324 (2006)
https://doi.org/10.1063/1.2361290
Published: October 2006
View article titled, Time-dependent density functional theory investigation of the absorption, fluorescence, and phosphorescence spectra of solvated coumarins
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Journal Articles

Excitation spectra of nitro-diphenylaniline: Accurate time-dependent density functional theory predictions for charge-transfer dyes

Denis Jacquemin, Michaël Bouhy, Eric A. Perpète
Journal: The Journal of Chemical Physics
J. Chem. Phys. 124, 204321 (2006)
https://doi.org/10.1063/1.2202735
Published: May 2006
View article titled, Excitation spectra of nitro-diphenylaniline: Accurate time-dependent density functional theory predictions for charge-transfer dyes
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Journal Articles

Substitution and chemical environment effects on the absorption spectrum of indigo

Denis Jacquemin, Julien Preat, Valérie Wathelet, Eric A. Perpète
Journal: The Journal of Chemical Physics
J. Chem. Phys. 124, 074104 (2006)
https://doi.org/10.1063/1.2166018
Published: February 2006
View article titled, Substitution and chemical environment effects on the absorption spectrum of indigo
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Journal Articles

Geometry, dipole moment, polarizability and first hyperpolarizability of polymethineimine: An assessment of electron correlation contributions

Denis Jacquemin, Jean-Marie André, Eric A. Perpète
Journal: The Journal of Chemical Physics
J. Chem. Phys. 121, 4389–4396 (2004)
https://doi.org/10.1063/1.1775181
Published: September 2004
View article titled, Geometry, dipole moment, polarizability and first hyperpolarizability of polymethineimine: An assessment of electron correlation contributions
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Journal Articles

Theoretical investigation of substituted anthraquinone dyes

Denis Jacquemin, Julien Preat, Magali Charlot, Valérie Wathelet, Jean-Marie André, Eric A. Perpète
Journal: The Journal of Chemical Physics
J. Chem. Phys. 121, 1736–1743 (2004)
https://doi.org/10.1063/1.1764497
Published: July 2004
View article titled, Theoretical investigation of substituted anthraquinone dyes
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Journal Articles

Theoretical study of the longitudinal first hyperpolarizability of polysilaacetylene

Denis Jacquemin, Eric A. Perpète, Jean-Marie André
Journal: The Journal of Chemical Physics
J. Chem. Phys. 120, 10317–10327 (2004)
https://doi.org/10.1063/1.1729982
Published: June 2004
View article titled, Theoretical study of the longitudinal first hyperpolarizability of polysilaacetylene
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Journal Articles

Erratum: “Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetylene chains” [J. Chem. Phys. 109 , 10489 (1998)]

Benoı̂t Champagne, Eric A. Perpète, Stan J. A. van Gisbergen, Evert-Jan Baerends, Jaap G. Snijders, Chirine Soubra-Ghaoui, Kathleen A. Robins, Bernard Kirtman
Journal: The Journal of Chemical Physics
J. Chem. Phys. 110, 11664 (1999)
https://doi.org/10.1063/1.479106
Published: June 1999
View article titled, Erratum: “Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An <em>ab initio</em> investigation of polyacetylene chains” [J. Chem. Phys. 109 , 10489 (1998)]
Open the PDF for Erratum: “Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An <em>ab initio</em> investigation of polyacetylene chains” [J. Chem. Phys. 109 , 10489 (1998)] in another window
Journal Articles

Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetylene chains

Benoı̂t Champagne, Eric A. Perpète, Stan J. A. van Gisbergen, Evert-Jan Baerends, Jaap G. Snijders, Chirine Soubra-Ghaoui, Kathleen A. Robins, Bernard Kirtman
Journal: The Journal of Chemical Physics
J. Chem. Phys. 109, 10489–10498 (1998)
https://doi.org/10.1063/1.477731
Published: December 1998
View article titled, Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An <em>ab initio</em> investigation of polyacetylene chains
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Journal Articles

Vibrational and electronic second hyperpolarizabilities of all-trans polysilane chains

Eric A. Perpète, Jean-Marie André, Benoı̂t Champagne
Journal: The Journal of Chemical Physics
J. Chem. Phys. 109, 4624–4637 (1998)
https://doi.org/10.1063/1.477067
Published: September 1998
View article titled, Vibrational and electronic second hyperpolarizabilities of all-trans polysilane chains
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Journal Articles

Linear and nonlinear polarizabilities of polydiacetylene and polybutatriene chains: An ab initio coupled Hartree–Fock investigation

Eric A. Perpète, Benoı̂t Champagne, Bernard Kirtman
Journal: The Journal of Chemical Physics
J. Chem. Phys. 107, 2463–2480 (1997)
https://doi.org/10.1063/1.474588
Published: August 1997
View article titled, Linear and nonlinear polarizabilities of polydiacetylene and polybutatriene chains: An <em>ab initio</em> coupled Hartree–Fock investigation
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Journal Articles

Vibrational polarizability of polyacetylene chains

Benoît Champagne, Eric A. Perpète, Jean‐Marie André
Journal: The Journal of Chemical Physics
J. Chem. Phys. 101, 10796–10807 (1994)
https://doi.org/10.1063/1.467830
Published: December 1994
View article titled, Vibrational polarizability of polyacetylene chains
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