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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… 
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Broader (3)

Computational chemistryComputational physicsDensity functional theory

Papers overview

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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
Prediction of excitation energies for conjugated polymers using time-dependent density functional theory
Excitation energies of light-emitting conjugated polymers have been investigated with time-dependent density functional theory… 
2008
2008
Real-Time Propagation of the Reduced One-Electron Density Matrix in Atom-Centered Orbitals: Application to Electron Injection Dynamics in Dye-Sensitized TiO2 Clusters
National Science Foundation of China [20673104, 50121202]; National Basic Research Program of China [2004CB719901, 2006CB922004] 
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… 
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