The localized single-electron density matrix implementation of time-dependent density-functional theory (TDDFT) was discussed. The excited state properties of atoms and molecules were calculated using the TDDFT. In this regard, the calculations of the absorption spectra of polyacetylene oligomers and linear alkanes by using the TDDFT, were also presented.published_or_final_versio
A recently developed linear scaling localized-density-matrix method is modified, and the equation of...
International audienceThe progress of experimental techniques makes more and more precise measuremen...
Time-dependent density-functional (TDDFT) methods are applied within the adiabatic approximation to ...
We present an implementation of time-dependent density-functional theory (TDDFT) in the linear respo...
Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of interacting elect...
An implementation of real‐time time‐dependent density functional theory (RT‐TDDFT) within the TURBOM...
Time-dependent density-functional theory/localized density matrix method (TDDFT/LDM) was developed t...
WOS:000304203500015International audienceThe classic density-functional theory (DFT) formalism intro...
A generalized linear scaling localized-density-matrix (LDM) method is developed to adopt the nonorth...
The restricted excitation subspace approximation is explored as a basis to reduce the memory storage...
In this tutorial review, we show how Time-Dependent Density Functional Theory (TD-DFT) has become a ...
International audienceFor the calculation of neutral excitations, time-dependent density functional ...
We propose a new method of calculating electronically excited states that combines a density functio...
http://arxiv.org/PS_cache/arxiv/pdf/0808/0808.2021v1.pdfTime-dependent density-functional theory (TD...
We introduce a new implementation of time-dependent density-functional theory which allows the entir...
A recently developed linear scaling localized-density-matrix method is modified, and the equation of...
International audienceThe progress of experimental techniques makes more and more precise measuremen...
Time-dependent density-functional (TDDFT) methods are applied within the adiabatic approximation to ...
We present an implementation of time-dependent density-functional theory (TDDFT) in the linear respo...
Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of interacting elect...
An implementation of real‐time time‐dependent density functional theory (RT‐TDDFT) within the TURBOM...
Time-dependent density-functional theory/localized density matrix method (TDDFT/LDM) was developed t...
WOS:000304203500015International audienceThe classic density-functional theory (DFT) formalism intro...
A generalized linear scaling localized-density-matrix (LDM) method is developed to adopt the nonorth...
The restricted excitation subspace approximation is explored as a basis to reduce the memory storage...
In this tutorial review, we show how Time-Dependent Density Functional Theory (TD-DFT) has become a ...
International audienceFor the calculation of neutral excitations, time-dependent density functional ...
We propose a new method of calculating electronically excited states that combines a density functio...
http://arxiv.org/PS_cache/arxiv/pdf/0808/0808.2021v1.pdfTime-dependent density-functional theory (TD...
We introduce a new implementation of time-dependent density-functional theory which allows the entir...
A recently developed linear scaling localized-density-matrix method is modified, and the equation of...
International audienceThe progress of experimental techniques makes more and more precise measuremen...
Time-dependent density-functional (TDDFT) methods are applied within the adiabatic approximation to ...