(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

cites work

1 reference

Organic Electroluminescent Devices

21 January 2018

1 reference

The path to ubiquitous and low-cost organic electronic appliances on plastic

21 January 2018

1 reference

Highly efficient phosphorescent emission from organic electroluminescent devices

21 January 2018

1 reference

Organic solar cells: An overview

21 January 2018

1 reference

Substituent effects in pentacenes: gaining control over HOMO-LUMO gaps and photooxidative resistances

21 January 2018

1 reference

Single-reference ab initio methods for the calculation of excited states of large molecules

21 January 2018

1 reference

Density-Functional Theory for Time-Dependent Systems

21 January 2018

1 reference

Extensive TD-DFT Benchmark: Singlet-Excited States of Organic Molecules

21 January 2018

1 reference

Failure of time-dependent density functional theory for long-range charge-transfer excited states: the zincbacteriochlorin-bacteriochlorin and bacteriochlorophyll-spheroidene complexes

21 January 2018

1 reference

A global investigation of excited state surfaces within time-dependent density-functional response theory

21 January 2018

1 reference

A long-range-corrected time-dependent density functional theory.

21 January 2018

1 reference

On the relation between time-dependent and variational density functional theory approaches for the determination of excitation energies and transition moments.

21 January 2018

1 reference

Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3

21 January 2018

1 reference

Self-consistent field calculations of excited states using the maximum overlap method (MOM).

21 January 2018

1 reference

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

21 January 2018

1 reference

Excited states and solvatochromic shifts within a nonequilibrium solvation approach:A new formulation of the integral equation formalism method at the selfconsistent field, configuration interaction, and multiconfiguration self-consistent field level

21 January 2018

1 reference

Probing and modeling the absorption of retinal protein chromophores in vacuo.

21 January 2018

1 reference

Starburst triarylamine based dyes for efficient dye-sensitized solar cells.

21 January 2018

1 reference

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other fun

21 January 2018

1 reference

Advances in methods and algorithms in a modern quantum chemistry program package.

21 January 2018

1 reference

Density-functional thermochemistry. III. The role of exact exchange

21 January 2018

1 reference

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

21 January 2018

1 reference

Obtaining Hartree-Fock and density functional theory doubly excited states with Car-Parrinello density matrix search

21 January 2018

1 reference

Time-dependent density functional theory: past, present, and future.

21 January 2018

1 reference

Electronic excitations: density-functional versus many-body Green’s-function approaches

21 January 2018

1 reference

Time-dependent density functional theory.

21 January 2018

1 reference

Memory in time-dependent density functional theory.

21 January 2018

1 reference

Orbital- and state-dependent functionals in density-functional theory.

21 January 2018

1 reference

Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v-representability problem

21 January 2018

1 reference

About the calculation of exchange coupling constants in polynuclear transition metal complexes

21 January 2018

1 reference

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

1 reference

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

21 January 2018

1 reference

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

1 reference

Electronic properties of disordered organic semiconductors via QM/MM simulations

21 January 2018

1 reference

The electroluminescence of organic materials

21 January 2018

1 reference

Local density-functional theory of frequency-dependent linear response

21 January 2018

1 reference

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

21 January 2018

1 reference

Time-Dependent Optimized Effective Potential

21 January 2018

1 reference

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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Adiabatic time-dependent density functional methods for excited state properties

21 January 2018

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Structural Relaxations in Electronically Excited Poly(para-phenylene)

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.3530801

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release_rnm6yqatcfdzzezrngf6nbb7ji

14 September 2017

Fatcat ID

0 references

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