Electronic excited states and electronic spectra of biphenyl: a study using many-body wavefunction methods and density functional theories

Ryoichi Fukuda; Masahiro Ehara

doi:10.1039/c3cp52636d

Electronic excited states and electronic spectra of biphenyl: a study using many-body wavefunction methods and density functional theories

Physical Chemistry Chemical Physics ◽

10.1039/c3cp52636d ◽

2013 ◽

Vol 15 (40) ◽

pp. 17426 ◽

Cited By ~ 17

Author(s):

Ryoichi Fukuda ◽

Masahiro Ehara

Keyword(s):

Excited States ◽

Electronic Spectra ◽

Density Functional ◽

Many Body ◽

Electronic Excited States ◽

Wavefunction Methods

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Electronic excited states of mixed sandwich complexes, (η7-C7H7)(η5-C5H5)M (M = V, Cr): Investigation with time-dependent density functional theory

Inorganica Chimica Acta ◽

10.1016/j.ica.2018.12.015 ◽

2019 ◽

Vol 487 ◽

pp. 281-286 ◽

Cited By ~ 1

Author(s):

Sergey Ketkov ◽

Elena Rychagova

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Density Functional ◽

Time Dependent ◽

Sandwich Complexes ◽

Functional Theory ◽

Electronic Excited States ◽

Dependent Density

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Investigation of the Electronic Excited States of Small Gold Clusters in Rare Gas Matrices: Spin–Orbit Time-Dependent Density Functional Theory Calculation

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.5b03151 ◽

2015 ◽

Vol 119 (32) ◽

pp. 8579-8587 ◽

Cited By ~ 4

Author(s):

Zahra Jamshidi ◽

Elham Kaveei ◽

Mozhdeh Mohammadpour

Keyword(s):

Excited States ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Gold Clusters ◽

Time Dependent ◽

Rare Gas ◽

Spin Orbit ◽

Functional Theory ◽

Electronic Excited States ◽

Theory Calculation

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Time-Dependent Density Functional Theory Study of Fe2(CO)9Low-Lying Electronic Excited States

The Journal of Physical Chemistry A ◽

10.1021/jp0646022 ◽

2006 ◽

Vol 110 (47) ◽

pp. 12900-12907 ◽

Cited By ~ 9

Author(s):

Luca Bertini ◽

Claudio Greco ◽

Luca De Gioia ◽

Piercarlo Fantucci

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic Excited States ◽

Dependent Density

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Time-dependent density functional theory study on electronic excited states of the hydrogen-bonded solute–solvent phenol–(H2O)n (n=3–5) clusters

Journal of Luminescence ◽

10.1016/j.jlumin.2011.06.006 ◽

2011 ◽

Vol 131 (11) ◽

pp. 2279-2285 ◽

Cited By ~ 7

Author(s):

Se Wang ◽

Ce Hao ◽

Zhanxian Gao ◽

Jingwen Chen ◽

Jieshan Qiu

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic Excited States ◽

Dependent Density ◽

Hydrogen Bonded

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Subsystem density-functional theory as an effective tool for modeling ground and excited states, their dynamics and many-body interactions

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/27/18/183202 ◽

2015 ◽

Vol 27 (18) ◽

pp. 183202 ◽

Cited By ~ 41

Author(s):

Alisa Krishtal ◽

Debalina Sinha ◽

Alessandro Genova ◽

Michele Pavanello

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Density Functional ◽

Many Body ◽

Functional Theory ◽

Many Body Interactions

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Density functional theory and resonance Raman investigation of the ultraviolet electronic excited states of CF2I2

Chemical Physics Letters ◽

10.1016/s0009-2614(99)01353-6 ◽

2000 ◽

Vol 316 (5-6) ◽

pp. 524-530 ◽

Cited By ~ 20

Author(s):

Xuming Zheng ◽

David Lee Phillips

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Density Functional ◽

Resonance Raman ◽

Functional Theory ◽

Electronic Excited States

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Defining Electronic Excited States Using Time-Resolved Infrared Spectroscopy and Density Functional Theory Calculations†

The Journal of Physical Chemistry A ◽

10.1021/jp037096e ◽

2004 ◽

Vol 108 (16) ◽

pp. 3527-3536 ◽

Cited By ~ 68

Author(s):

Dana M. Dattelbaum ◽

Kristin M. Omberg ◽

P. Jeffrey Hay ◽

Nouvelle L. Gebhart ◽

Richard L. Martin ◽

...

Keyword(s):

Density Functional Theory ◽

Infrared Spectroscopy ◽

Excited States ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Time Resolved ◽

Electronic Excited States ◽

Time Resolved Infrared Spectroscopy

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Time-dependent density functional theory study on the coexistent intermolecular hydrogen-bonding and dihydrogen-bonding of the phenol-H2O-diethylmethylsilane complex in electronic excited states

Physical Chemistry Chemical Physics ◽

10.1039/b927049c ◽

2010 ◽

Vol 12 (32) ◽

pp. 9445 ◽

Cited By ~ 17

Author(s):

Ning-Ning Wei ◽

Ce Hao ◽

Zhilong Xiu ◽

Jieshan Qiu

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Density Functional ◽

Time Dependent ◽

Intermolecular Hydrogen Bonding ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic Excited States ◽

Dihydrogen Bonding ◽

Dependent Density

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Density Functional Methods for Excited States: Equilibrium Structure and Electronic Spectra

Theoretical and Computational Chemistry - Computational Photochemistry ◽

10.1016/s1380-7323(05)80020-2 ◽

2005 ◽

pp. 93-128 ◽

Cited By ~ 139

Author(s):

Filipp Furche ◽

Dmitrij Rappoport

Keyword(s):

Excited States ◽

Electronic Spectra ◽

Density Functional ◽

Equilibrium Structure ◽

Density Functional Methods ◽

Functional Methods

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Many-Body Diagrammatic Expansion in a Kohn-Sham Basis: Implications for Time-Dependent Density Functional Theory of Excited States

Physical Review Letters ◽

10.1103/physrevlett.86.2078 ◽

2001 ◽

Vol 86 (10) ◽

pp. 2078-2081 ◽

Cited By ~ 55

Author(s):

I. V. Tokatly ◽

O. Pankratov

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Density Functional ◽

Time Dependent ◽

Many Body ◽

Functional Theory ◽

Dependent Density

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Electronic excited states and electronic spectra of biphenyl: a study using many-body wavefunction methods and density functional theories

Electronic excited states of mixed sandwich complexes, (η7-C7H7)(η5-C5H5)M (M = V, Cr): Investigation with time-dependent density functional theory

Investigation of the Electronic Excited States of Small Gold Clusters in Rare Gas Matrices: Spin–Orbit Time-Dependent Density Functional Theory Calculation

Time-Dependent Density Functional Theory Study of Fe2(CO)9Low-Lying Electronic Excited States

Time-dependent density functional theory study on electronic excited states of the hydrogen-bonded solute–solvent phenol–(H2O)n (n=3–5) clusters

Subsystem density-functional theory as an effective tool for modeling ground and excited states, their dynamics and many-body interactions

Density functional theory and resonance Raman investigation of the ultraviolet electronic excited states of CF2I2

Defining Electronic Excited States Using Time-Resolved Infrared Spectroscopy and Density Functional Theory Calculations†

Time-dependent density functional theory study on the coexistent intermolecular hydrogen-bonding and dihydrogen-bonding of the phenol-H2O-diethylmethylsilane complex in electronic excited states

Density Functional Methods for Excited States: Equilibrium Structure and Electronic Spectra

Many-Body Diagrammatic Expansion in a Kohn-Sham Basis: Implications for Time-Dependent Density Functional Theory of Excited States

Electronic excited states of mixed sandwich complexes, (η7-C7H7)(η5-C5H5)M (M = V, Cr): Investigation with time-dependent density functional theory