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Showing 1 to 20 of 148 for “"Wave Function"”.
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The wave function of the universe
… Cosmology, universe states are treated as wave function solutions to a zero-energy Schroedinger equation that is hyperbolic in its second derivatives of spatial geometries and matter-fields. In order to select one wave function (that would in principle correspond to our Universe) out of …
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Backflow and pairing wave function for quantum Monte Carlo methods
… mainly concerned with the development of trial wave functions for QMC. An extension of the backflow transformation to inhomogeneous electronic systems is presented and applied to atoms, molecules and extended systems. The backflow transformation I have developed typically retrieves an additional …
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Laughlin's wave function, plasma analogies and the fractional quantum Hall effect on infinite cylinders
Gegenstand dieser Dissertation ist die Untersuchung von Laughlins Wellenfunktion auf einem Zylinder. Die Ergebnisse sind sowohl fuer die Theorie des fraktionalen Quanten-Hall-Effekts als auch fuer die klassische statische Mechanik geladener Teilchen in einem neutralisierenden Hintergrund von …
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Development and Application of Explicitly Correlated Wave Function Based Methods for the Investigation of Optical Properties of Semiconductor Nanomaterials
… properties can be controlled and tailored as a function of several influential factors, including but not limited to the particle size and shape, effect of composition and heterojunction as well as the effect of ligand on the particle surface. This customizable nature leads to extensive …
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Theoretical investigation of the quantum-confined Stark effect
… of explicitly correlated electron-hole wave function based methods and the application of these methods to chemical systems with an</p> <p>emphasis on nanoparticles.</p> <p>The understanding of the basic physics of excited electronic states is an important consideration when developing …
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Benchmark studies using quantum Monte Carlo: pressure estimators, energy, and entanglement
Trial wave function based quantum Monte Carlo is a promising family of methods for the solution of quantum mechanical Hamiltonians. These fundamentally non-perturbative methods can be used to treat bosons or fermions in weakly or strong interacting systems and in any phase. Properties computed for …
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Excitations in superfluids of atoms and polaritons
… equilibrium BEC. The corresponding condensate wave function of each system satisfies a particular partial differential equation (PDE). These PDEs are discussed in the beginning of this thesis and justified in the context of the quantum many-body problem. For high occupation numbers and when …
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A study of nucleon unstable states produced in direct nuclear reactions
… nucleon decay. An expression is derived for the wave function of such an excited nucleus, using the continuum shell-model theory. The bound and resonant states of the shell-model Hamiltonian are treated on an equal footing. The resonant part of this wave function is substituted into the DWBA …
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Perturbative QCD in exclusive processes
… to the theoretical uncertainties of the nucleon wave function and the form of the running coupling constant is investigated. A new prediction for the cross-section for 𝛾𝛾 → Δ++ Δ̅++ with sum-rule wave functions is presented. As a product of the development of the computer program, the quark …
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Investigation into the properties and application of the Diffusion Monte Carlo method
… the ground state energy and ground state wave function for systems governed by the Schrodinger equation. In this paper, familiar problems like the ground state energy of the harmonic oscillator and the Morse oscillator shall be solved using the DMC method and compared to their well-known …
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The asymptotic expansion method for heliumlike ions
… on a simple perturbation expansion for the total wave function. The method takes advantage of the fact that, with increasing angular momentum, the overlap of the Rydberg electron wave function with the core consisting of a 18 electron and the nucleus becomes vanishingly small. For a helium atom (Z …
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A STUDY FOR THE PROPAGATION OF ELECTROMAGNETIC WAVES OVER IMPERFECT GROUND PLANES BASED ON SCHELKUNOFF INTEGRALS
… the analysis of propagation of electromagnetic waves over imperfectly conducting planar surfaces is proposed. The classical approach for the analysis of this problem uses the Sommerfeld formulation. In Sommerfeld formulation, the wave function corresponding to a point source is expanded in terms …
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Quantum Monte Carlo Calucations Of Three And Six-Quark States
… the quarks. We solve for single baryon S and P-wave spectra by solving the Schrodinger equation variationally for the ground state of three interacting light-flavored valence quarks. The variational Monte Carlo method is then used to find the ground state of six quarks confined to a cavity of …
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Many-body entanglement : topological orders, tensor networks and superconductivity
… phase (S, T)-matrices from the fixed-point wave functions, obtained in the string-net approach by Levin and Wen and the local unitary transformation approach by Chen, Gu and Wen. In doing so, (S, T)-matrices act as our non-local "order parameter" and give a full characterization of 2+ 1D …
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Coarse-graining electronic behavior in condensed matter systems : from electrons to continuum elasticity
… the first system of study, high momentum, plane wave states of the electronic wave function are coarse-grained, while the low momentum states are fully resolved. Moreover, the coarse-graining procedure incorporates the response of the high momentum states to environmental changes and its …
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Local Correlation: Implementation and Application to Molecular Response Properties
… wall associated with electron correlating wave function methods is the local correlation technique of Pulay and Saebø. They have proposed using a set of localized occupied and virtual orbitals free of the canonical constraint commonly employed in quantum chemistry, resulting in a method …
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Zur Approximation elektronischer Wellenfunktionen durch anisotrope Gauß-Funktionen
… The solutions of the eigenvalue problem - the wave functions - describe the state of the modelled quantum mechanic system and can be computed analytically in only a few simple cases. The high dimensionality of the problem is one of the difficulties in the approximation of a solution. Therefore …
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Calculations of three-body scattering amplitudes
… In form it resembles a Schwinger principle. The wave functions that are varied are products of the two-body potentials and the normal three-body wave function. This results in a very simple asymptotic behavior, even for energies above the breakup threshold. Numeric results are presented for …
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