4.4 Article

Chemically Intuitive Indices for Charge-Transfer Excitation Based on SAC-CI and TD-DFT Calculations

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

What is the best atomic charge model to describe through-space charge-transfer excitations?

Denis Jacquemin et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

A Qualitative Index of Spatial Extent in Charge-Transfer Excitations

Tangui Le Bahers et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)

Article Chemistry, Physical

A compact diketopyrrolopyrrole dye as efficient sensitizer in titanium dioxide dye-sensitized solar cells

Julien Warnan et al.

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY (2011)

Article Chemistry, Physical

Excitation energies in density functional theory: An evaluation and a diagnostic test

Michael J. G. Peach et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Review Chemistry, Physical

TD-DFT performance for the visible absorption spectra of organic dyes: Conventional versus long-range hybrids

Denis Jacquemin et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)

Review Chemistry, Multidisciplinary

Quantum mechanical continuum solvation models

J Tomasi et al.

CHEMICAL REVIEWS (2005)

Article Chemistry, Physical

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

Y Tawada et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Chemistry, Physical

A long-range correction scheme for generalized-gradient-approximation exchange functionals

H Iikura et al.

JOURNAL OF CHEMICAL PHYSICS (2001)