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Showing 1 to 20 of 21 for “"Green's Function Method"”.
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The Straggling Green's Function Method for Ion Transport
… conducted on developing a concise theory and method for HZE ion transport capable of being validated in the laboratory. Previous attempts have ignored dispersion and energy downshift associated with nuclear fragmentation and energy and range straggling. Here we present a Green's function …
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A Nodal Green's Function Method for Multidimensional Neutron Diffusion Calculations
Made available in DSpace on 2014-12-14T06:26:09Z (GMT). No. of bitstreams: 1 8004214.pdf: 6014344 bytes, checksum: 8ab69c6f9773f3440f6123de5b682353 (MD5) Previous issue date: 1979
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Study Of Quantum Transport In Nanoscale Structures Using Non-Equilibrium Green's Function Method
Submitted by Meng Tao (mengtao2@illinois.edu) on 2012-10-12T23:55:53Z No. of bitstreams: 1 Guan.pdf: 1480734 bytes, checksum: 0898fc6645e8cde3de79af582e5d4d0f (MD5)
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Electronic structure and transport in molecular and nanoscale electronics
Two approaches based on first-principles method are developed to qualitatively and quantitatively study electronic structure and phase-coherent transport in molecular and nanoscale electronics, where both quantum mechanical nature of electrons and dimensionality of systems play the critical roles …
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Explicitly correlated Green's function methods for calculating electron binding energies
Single-particle Green's function method is a direct way of calculating electron binding energy, which relies on expanding the Fock subspace in a finite single-particle basis. However, these methods suffer from slow asymptotic decay of basis set incompleteness error. An energy-dependent explicitly …
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The Green's dyadic method for the analytic solution of multigroup neutron transport boundary value problems
An extension of the Green's function method is developed for the exact solution of the multigroup neutron transport equation. The method is based on the treatment of the steady-state, plane geometry multigroup equations for general anisotropic scattering in a homogenous medium. The problem of a …
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Ab initio Beschreibung der elektronischen Struktur und der Transporteigenschaften von metallischen Nanodrähten
… presented. The calculations are based on density functional theory in local density approximation using a Screened Korringa-Kohn-Rostoker-Green's function method. The method was extended for the description of quasi-onedimensional systems. Translational invariance in direction of the wire is …
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ΠΡΟΣΔΙΟΡΙΣΜΟΣ ΗΛΕΚΤΡΟΜΑΓΝΗΤΙΚΟΥ ΠΕΔΙΟΥ ΔΙΠΟΛΙΚΗΣ ΠΗΓΗΣ ΤΥΧΟΝΤΟΣ ΠΡΟΣΑΝΑΤΟΛΙΣΜΟΥΣΕ ΣΤΡΩΜΑΤΟΠΟΙΗΜΕΝΟ ΜΕΣΟ ΜΕ ΤΕΧΝΙΚΕΣ ΤΩΝ ΜΕΘΟΔΩΝ Τ-Ω ΚΑΙ ΟΡΙΑΚΩΝ ΣΤΟΙΧΕΙΩΝ
… LOCATED INSIDE THE CONDUCTING MATERIAL. A Τ-Ω METHOD ACCOMPANIED WITH A BOUNDARY ELEMENT TECHNIQUE IS USED FOR THE EVALUATION OF THEFIELD INSIDE THE CONDUCTING MATERIAL. THE GREEN'S FUNCTION METHOD IS USED TO TRANSFORM THE HELMHOLTZ'S EQUATIONS FOR THE ELECTRIC VECTOR POTENTIAL T AND THE …
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Electrically-tunable near-field heat transfer with ferroelectric materials
… fluctuation-dissipation theorem and the Dyadic Green's function method, the author shows via simulation that the magnitude and spectral characteristics of radiative heat transfer can be tuned via an externally applied electric field and temperature. Ways are explored to maximize the tuning …
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Quasiparticle calculations in atoms and many-body core-valence partitioning
"The central work of this thesis is many-body Green's Function Method calculations in atoms using Hedin's GW approximation with various vertex corrections, leading to polarizabilities and quasiparticle energies, which are electron addition (removal) energies corresponding to the lowest few …
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Quasiparticle calculations in atoms and many-body core-valence partitioning
"The central work of this thesis is many-body Green's Function Method calculations in atoms using Hedin's GW approximation with various vertex corrections, leading to polarizabilities and quasiparticle energies, which are electron addition (removal) energies corresponding to the lowest few …
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Thermal transport in low dimensional semiconductor nanostructures
We have performed a first principles density functional theory (DFT) calculations to study the thermal conductivity in ZnO nanotubes, ZnO nanowires, and Si/Ge shell-core nanowires. We found the equilibrium configuration and the electric band structure of each nanostructure using DFT, the …
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Topics in the theory of semiconductors
… structural properties of Si using an iterative method and the pressure dependences of energy gaps of Si, Ge, and GaAs at symmetry points in the Brillouin zone using a variational method within the local-density-functional formalism. The results are in good agreement with experimental values. The …
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Thermal and Optical Simulations of Vertical Cavity Surface Emitting Lasers
… The scalar self-consistent effective index method (S-EIM) has been shown to compute accurate resonant wavelength, mode profile, and threshold loss as compared to the vector Green's function method and experimental results. The vector model is based on rigorous mode matching and has been …
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Diffusion and growth of steps and islands on surfaces
… this Thesis concerns the development of better methodology to study stochastic surface dynamics. In the study of step roughening, a Green's function method is introduced, which is important to speed up the numerical calculations of diffusion of a single particle on a terrace. In the simulations …
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High-precision QED calculations of the hyperfine structure in hydrogen and transition rates in multicharged ions
… closed shells are derived employing the two-time Green's function method. Numerical results for the correlation corrections to magnetic transition rates in He-like ions are presented. For the first time also the frequency-dependent contribution is calculated, which has to be accounted for …
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Exploring heat transfer at the atomistic level for thermal energy conversion and management
… Then, we move to first-principles density functional theory (DFT) to compute mode-dependent phonon properties. Such simulations can well reproduce experimental values of phonon dispersion and thermal conductivity with no adjustable parameters, establishing confidence that such an approach …
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Green's functions methods for justifying quasi-particle models
… part of the density-density correlation function may be generated as functional derivatives of a generalized thermodynamic potential (~), together with local translational and rotational invariance and Galilean relativity, leads to a transformation from the microscopic particle density …
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Modeling and Simulation of Electron Transport through Nanoscale Heterojunctions
… typical 3D electron gas and the standard density functional theory allows rigorous ab initio analysis for such systems. On the other hand, the strongly correlated heterojunction employs superconductors for its leads, therefore appropriate models need to be used to describe the essential physics …
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Emission properties of radiative chiral nematic liquid crystals
… of photon states, calculated via the Wigner method, has distinct peaks on either side of the photonic band gap, which manifests itself as a considerable modification of the emission spectrum. We demonstrate that, near resonance, there are notable differences between the behaviour of the …
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