搜索结果: 1-4 共查到“time-dependent density-functional theory”相关记录4条 . 查询时间(0.265 秒)
Computational All-Electron Time-Dependent Density Functional Theory in Real Space and Real-Time: Applications to Molecules and Nanostructures
Pure sciences Applied sciences Nanotubes Quantum simulations Tddft Diagonalizations Eigenvalue solver
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2014/11/7
Nowadays, for nanoelectronic devices, inter-atomic interactions and quantum effects are becoming increasingly important. For time dependent problem, such as high frequency electronics responses, or op...
A minimal model for excitons within time-dependent density-functional theory
minimal model excitons time-dependent density-functional theory
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2012/2/24
The accurate description of the optical spectra of insulators and semiconductors remains an important challenge for time-dependent density-functional theory (TDDFT). Evidence has been given in the lit...
Time-Dependent Density Functional Theory for Driven Lattice Gas Systems with Interactions Driven Lattice Gas Systems with Interactions
Time-Dependent Density Functional Theory Driven Lattice Gas Systems
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2010/11/23
We present a new method to describe the kinetics of driven lattice gases with particle-particle
interactions beyond hard-core exclusions. The method is based on the time-dependent density
functional...
Time-dependent density-functional theory for multicomponent systems
density-functional theory multicomponent systems
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2007/6/6
The Runge-Gross version of the Hohenberg-Kohn-Sham density-functional theory is generalized to multicomponent systems.