Assessment of the ΔSCF density functional theory approach for electronic excitations in organic dyes (Q39785193)

14 September 2017

title

Assessment of the ΔSCF density functional theory approach for electronic excitations in organic dyes (English)

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14 September 2017

Tim Kowalczyk

1

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14 September 2017

Shane R Yost

series ordinal

2

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14 September 2017

Troy Van Voorhis

series ordinal

3

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14 September 2017

language of work or name

English

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publication date

1 February 2011

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Journal of Chemical Physics

14 September 2017

published in

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14 September 2017

volume

134

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14 September 2017

issue

5

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14 September 2017

page(s)

054128

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A low-cost, high-efficiency solar cell based on dye-sensitized colloidal TiO2 films

14 September 2017

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21 January 2018

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On the Performances of the M06 Family of Density Functionals for Electronic Excitation Energies

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Experimental and DFT studies: novel structural modifications greatly enhance the solvent sensitivity of live cell imaging dyes

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21 January 2018

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QM/MM Car-Parrinello molecular dynamics study of the solvent effects on the ground state and on the first excited singlet state of acetone in water

21 January 2018

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Effective method to compute vibrationally resolved optical spectra of large molecules at finite temperature in the gas phase and in solution.

21 January 2018

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Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg-Teller effect: the Qx band of porphyrin as a case study

21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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TD-DFT Performance for the Visible Absorption Spectra of Organic Dyes: Conventional versus Long-Range Hybrids

21 January 2018

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Time-Dependent Optimized Effective Potential

21 January 2018

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Assessment of TD-DFT methods and of various spin scaled CIS(D) and CC2 versions for the treatment of low-lying valence excitations of large organic dyes

21 January 2018

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Structural Relaxations in Electronically Excited Poly(para-phenylene)

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21 January 2018

Identifiers

DOI

10.1063/1.3530801

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release_rnm6yqatcfdzzezrngf6nbb7ji

14 September 2017

Fatcat ID

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