Density Functional Theory

Structural Stability of GaAs Nanocrystal

Computational Complexity / III-V Semiconductors / Structural Stability / Nanocrystalline Material / Numerical Optimization / Density Functional Theory / Lattice Parameter / Local Density Approximation / Nanostructured Material / Density Functional Theory / Lattice Parameter / Local Density Approximation / Nanostructured Material

A structural and spectroscopic study on para-aminohippuric acid with experimental and theoretical approaches

Analytical Chemistry / Quantum Theory / Quantum Mechanics / Density Functional Theory / Oscillations / Electronic properties / Energy absorption / Solvent Effect / Heat Capacity / Time Dependent / Fourier transform infrared spectroscopy / Non Linear Optics / Energy Distribution / Raman Spectra / Absorption Spectra / Thermodynamic Properties / Potential Energy / Electronic properties / Energy absorption / Solvent Effect / Heat Capacity / Time Dependent / Fourier transform infrared spectroscopy / Non Linear Optics / Energy Distribution / Raman Spectra / Absorption Spectra / Thermodynamic Properties / Potential Energy

On two-dimensional spectral realization

Mathematics / Statistical Analysis / Markov Processes / Entropy / Trajectory / Probability Distribution & Applications / Hidden Markov Models / Density Functional Theory / Image Restoration / Bayesian methods / Maximization / Numerical computation / Spectral Density / Electrical And Electronic Engineering / Maximum entropy / Ordinary Differential Equation / Probability Distribution & Applications / Hidden Markov Models / Density Functional Theory / Image Restoration / Bayesian methods / Maximization / Numerical computation / Spectral Density / Electrical And Electronic Engineering / Maximum entropy / Ordinary Differential Equation

Transport in silicon nanowires: role of radial dopant profile

Density-functional theory / Nanowires / Phosphorus / Transport Properties / DFT calculation / Density Functional Theory / Electron Transport / Computational electronics / Device Modeling / Density Functional Theory / Electron Transport / Computational electronics / Device Modeling

Defects in semiconductor nanostructures

Quantum Confinement / Mathematical Sciences / Semiconductor / Density Functional Theory / Physical sciences / Nanostructures / Information Age / Electronic Structure / Dielectric Constant / Tight Binding / Pramana / Nanostructures / Information Age / Electronic Structure / Dielectric Constant / Tight Binding / Pramana

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