(Q51222653)

1 April 2018

title

Excited state geometry optimizations by analytical energy gradient of long-range corrected time-dependent density functional theory. (English)

1 reference

1 April 2018

author

Kimihiko Hirao

series ordinal

3

1 reference

1 April 2018

author name string

Mahito Chiba

series ordinal

1

1 reference

1 April 2018

Takao Tsuneda

series ordinal

2

1 reference

1 April 2018

language of work or name

English

0 references

publication date

1 April 2006

1 reference

1 April 2018

Journal of Chemical Physics

published in

1 reference

1 April 2018

volume

124

1 reference

1 April 2018

issue

14

1 reference

1 April 2018

page(s)

144106

1 reference

1 April 2018

Time-dependent density functional theory for radicals

cites work

1 reference

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

21 January 2018

1 reference

Nonlinear optical property calculations by the long-range-corrected coupled-perturbed Kohn-Sham method.

21 January 2018

1 reference

A density-functional study on pi-aromatic interaction: benzene dimer and naphthalene dimer.

21 January 2018

1 reference

Cluster expansion of the wavefunction. Symmetry‐adapted‐cluster expansion, its variational determination, and extension of open‐shell orbital theory

21 January 2018

1 reference

Toward a systematic molecular orbital theory for excited states

21 January 2018

1 reference

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

21 January 2018

1 reference

Density-functional exchange-energy approximation with correct asymptotic behavior

21 January 2018

1 reference

Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model

21 January 2018

1 reference

General atomic and molecular electronic structure system

21 January 2018

1 reference

Ground and excited state CASPT2 geometry optimizations of small organic molecules

21 January 2018

1 reference

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

21 January 2018

1 reference

Time-dependent density functional theory for molecules in liquid solutions

21 January 2018

1 reference

Erratum: “Time-dependent density functional methods for excited state properties” [J. Chem. Phys. 117, 7433 (2002)]

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.2186995

1 reference

1 April 2018

1 reference

1 April 2018