4.7 Article

Assessment of density functional theory based ΔSCF (self-consistent field) and linear response methods for longest wavelength excited states of extended π-conjugated molecular systems

Related references

Note: Only part of the references are listed.
Review Biochemistry & Molecular Biology

Bright Building Blocks for Chemical Biology

Luke D. Lavis et al.

ACS CHEMICAL BIOLOGY (2014)

Article Chemistry, Multidisciplinary

The Multiradical Character of One- and Two-Dimensional Graphene Nanoribbons

Felix Plasser et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)

Article Chemistry, Physical

Assessment of Density Functional Methods for Obtaining Geometries at Conical Intersections in Organic Molecules

Michael Filatov

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)

Article Chemistry, Physical

Verdict: Time-Dependent Density Functional Theory Not Guilty of Large Errors for Cyanines

Denis Jacquemin et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)

Article Chemistry, Physical

Electronic Excitations of Simple Cyanine Dyes: Reconciling Density Functional and Wave Function Methods

Robert Send et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)

Article Chemistry, Multidisciplinary

Photogeneration of Octacene and Nonacene

Christina Toenshoff et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)

Article Chemistry, Multidisciplinary

Synthesis, Stability, and Photochemistry of Pentacene, Hexacene, and Heptacene: A Matrix Isolation Study

Rajib Mondal et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)

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)

Article Chemistry, Physical

Excitation Energies from Spin-Restricted Ensemble-Referenced Kohn-Sham Method: A State-Average Approach

Andranik Kazaryan et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2008)

Review Chemistry, Physical

Double-hybrid density functional theory for excited electronic states of molecules

Stefan Grimme et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

The radical character of the acenes:: A density matrix renormalization group study

Johannes Hachmann et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Correction Physics, Multidisciplinary

Lack of Hohenberg-Kohn theorem for excited states (vol 93, art no 073001, 2004)

R Gaudoin et al.

PHYSICAL REVIEW LETTERS (2005)

Article Chemistry, Physical

A dressed TDDFT treatment of the 2Ag states of butadiene and hexatriene

RJ Cave et al.

CHEMICAL PHYSICS LETTERS (2004)

Article Chemistry, Physical

Double excitations within time-dependent density functional theory linear response

NT Maitra et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Chemistry, Physical

A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

T Yanai et al.

CHEMICAL PHYSICS LETTERS (2004)

Article Chemistry, Physical

Intermediate state representation approach to physical properties of electronically excited molecules

J Schirmer et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Physics, Multidisciplinary

Excitation energies from time-dependent density-functional formalism for small systems

F Aryasetiawan et al.

EUROPHYSICS LETTERS (2002)

Article Physics, Multidisciplinary

Kohn-Sham theory for ground-state ensembles

CA Ullrich et al.

PHYSICAL REVIEW LETTERS (2001)

Article Chemistry, Physical

Diradicaloids: Description by the spin-restricted, ensemble-referenced Kohn-Sham density functional method

M Filatov et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2000)

Review Chemistry, Multidisciplinary

Cyanines during the 1990s: A review

A Mishra et al.

CHEMICAL REVIEWS (2000)