(Q49073499)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23020323%20AND%20SRC:MED&resulttype=core&format=json

9 March 2020

title

Extension of local response dispersion method to excited-state calculation based on time-dependent density functional theory (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23020323%20AND%20SRC:MED&resulttype=core&format=json

9 March 2020

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23020323%20AND%20SRC:MED&resulttype=core&format=json

9 March 2020

Yasuhiro Ikabata

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23020323%20AND%20SRC:MED&resulttype=core&format=json

9 March 2020

author name string

Yasuhiro Ikabata

series ordinal

1

1 reference

18 February 2018

http://europepmc.org/abstract/MED/23020323

language of work or name

English

0 references

publication date

1 September 2012

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23020323%20AND%20SRC:MED&resulttype=core&format=json

Journal of Chemical Physics

9 March 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23020323%20AND%20SRC:MED&resulttype=core&format=json

9 March 2020

volume

137

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23020323%20AND%20SRC:MED&resulttype=core&format=json

9 March 2020

issue

12

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23020323%20AND%20SRC:MED&resulttype=core&format=json

9 March 2020

page(s)

124106

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23020323%20AND%20SRC:MED&resulttype=core&format=json

Excitations in time-dependent density-functional theory.

9 March 2020

cites work

1 reference

Description of core excitations by time-dependent density functional theory with local density approximation, generalized gradient approximation, meta-generalized gradient approximation, and hybrid functionals.

21 January 2018

1 reference

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

21 January 2018

1 reference

Time-dependent density functional theory calculations for core-excited states: assessment of standard exchange-correlation functionals and development of a novel hybrid functional.

21 January 2018

1 reference

Hybrid exchange-correlation functional for core, valence, and Rydberg excitations: core-valence-Rydberg B3LYP.

21 January 2018

1 reference

Extension of the Core-Valence-Rydberg B3LYP Functional to Core-Excited-State Calculations of Third-Row Atoms.

21 January 2018

1 reference

First singlet (n,pi*) excited state of hydrogen-bonded complexes between water and pyrimidine

21 January 2018

1 reference

The lowest singlet (n,pi*) and (pi,pi*) excited states of the hydrogen-bonded complex between water and pyrazine

21 January 2018

1 reference

On the properties of microsolvated molecules in the ground (S0) and excited (S1) states: the anisole-ammonia 1:1 complex

21 January 2018

1 reference

Isotopomeric conformational changes in the anisole-water complex: new insights from HR-UV spectroscopy and theoretical studies.

21 January 2018

1 reference

Theoretical study of the benzene excimer using time-dependent density functional theory.

21 January 2018

1 reference

Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case

21 January 2018

1 reference

The excited states of pi-stacked 9-methyladenine oligomers: a TD-DFT study in aqueous solution

21 January 2018

1 reference

Charge-transfer excited states in a pi-stacked adenine dimer, as predicted using long-range-corrected time-dependent density functional theory

21 January 2018

1 reference

Excited states decay of the A-T DNA: A PCM/TD-DFT study in aqueous solution of the (9-methyl-adenine)(2).(1-methyl-thymine)(2) stacked tetramer

21 January 2018

1 reference

The excited electronic states of adenine-guanine stacked dimers in aqueous solution: a PCM/TD-DFT study

21 January 2018

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Semiempirical GGA-type density functional constructed with a long-range dispersion correction.

21 January 2018

1 reference

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

21 January 2018

1 reference

Density-functional exchange-energy approximation with correct asymptotic behavior

21 January 2018

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General atomic and molecular electronic structure system

21 January 2018

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A doubles correction to electronic excited states from configuration interaction in the space of single substitutions

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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21 January 2018

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The role of adenine excimers in the photophysics of oligonucleotides.

21 January 2018

1 reference

Extensions of the S66 Data Set: More Accurate Interaction Energies and Angular-Displaced Nonequilibrium Geometries

21 January 2018

1 reference

Adiabatic time-dependent density functional methods for excited state properties

21 January 2018

1 reference