Skip to search formSkip to main contentSkip to account menu

Time-dependent density functional theory

Known as: TD-DFT, TDDFT 
Time-dependent density functional theory (TDDFT) is a quantum mechanical theory used in physics and chemistry to investigate the properties and… 
Wikipedia (opens in a new tab)

Related topics

Related topics

29 relations
ABINITADF InfoAction (physics)CP2K

Broader (3)

Computational chemistryComputational physicsDensity functional theory

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2015
2015
Development of Methods for Reducing the Cost of Density Functional Theory and Time-Dependent Density Functional theory
Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TDDFT) are powerful methods for solving a variety… 
2015
2015
Anti-aggregation and intra-type Förster resonance energy transfer in bulky indoline sensitizers for dye-sensitized solar cells: a combined DFT/TDDFT and molecular dynamics study
We have performed a theoretical investigation using a combination of DFT/TDDFT and molecular dynamics simulations to explain the… 
2014
2014
A DFT/TDDFT Investigation of Excited-State Intramolecular Proton Transfer Mechanism of New Chromophore
2014
2014
Anthracene based organic dipolar compounds for sensitized solar cells
2009
2009
Correlated electron dynamics and memory in time-dependent density functional theory
Correlated electron dynamics play an important role for nonlinear and linear processes in atoms and molecules such as strong… 
2005
2005
Scattering states from time-dependent density functional theory
OF THE DISSERTATION Scattering states from Time-dependent Density Functional Theory by Adam Wasserman Dissertation Director: Prof… 
2003
2003
Time-Dependent Density Functional Theory Study on Polyazopyrrole and Polyazothiophene
Two narrow band gap polymers, polyazopyrrole (PAPY) and polyazothiophene (PATH), were theoretically investigated by means of time… 
2003
2003
Photoionization of atoms using time-dependent density functional theory
Time-dependent density functional theory appears to be a valuable tool to study multiphoton ionization of atoms or molecules… 
2001
2001
Time-dependent density functional theory for periodic systems
In this thesis the time-dependent version of density functional theory is described, which has been developed for crystalline non… 
2000
2000
Ab initio investigation of the sum-frequency hyperpolarizability of small chiral molecules
By clicking accept or continuing to use the site, you agree to the terms outlined in our Privacy Policy (opens in a new tab), Terms of Service (opens in a new tab), and Dataset License (opens in a new tab)