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Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 131 for “"Wave functions."”.
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Triton Wave Functions Using Realistic Potentials.
… to predict accurately the eigenvalues and eigenfunctions which result from two-body forces, it is possible that the measured properties of three-nucleon systems can provide a significant means of discriminating among various so-called "realistic" potentials—two-body potentials which have been …
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Improved wave functions for quantum Monte Carlo
… systems. QMC calculations based on many-body wave functions are considerably more accurate than density functional theory methods, and their accuracy rivals that of the most sophisticated quantum chemistry methods. This thesis is concerned with the development of improved wave function forms …
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Wave functions and transition probabilities of light atoms
Thesis (Ph.D.) Massachusetts Institute of Technology. Dept. of Physics, 1954.
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One-electron properties of simulated non-empirical wave functions
xiv, 200 leaves : ill., appendices
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Wave functions of electrons in a highly compressed gas
Thesis (Ph.D.) Massachusetts Institute of Technology. Dept. of Physics, 1951.
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Optimization of trial wave functions for use in quantum Monte Carlo with application to LiH
Methods for both partial and full optimization of wavefunction parameters are explored, and these are applied to the LiH molecule. A partial optimization can be easily performed with little difficulty. But to perform a full optimization we must avoid a wrong minimum, and deal with …
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The charge dependence of the nuclear forces and the A = 14 isobaric triplet
… Blin-Stoyle and Le Tourneux. [1] To do this, new wave functions for the first few low-lying levels of the A = 14 isobaric triplet 0<sup>14</sup> , N<sup>14</sup> , and C<sup>14</sup> are found. These wave functions contain contributions from the 2s-ld shell as well as the normal lp shell …
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Variational Monte Carlo study of core-valence separation schemes for first-row atoms and positive ions /
All-electron partitioning of wave functions into products ^core^vai of core and valence parts in orbital space results in the loss of core-valence antisymmetry, uncorrelation of motion of core and valence electrons, and core-valence overlap. These effects are studied with the variational Monte …
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Green's function Monte Carlo calculations of few-nucleon systems
… begins with the development of a variational wave function. We discuss the basis for our variational wave functions and the Monte Carlo techniques used to evaluate expectation values with these wave functions. To determine the exact ground state, Green's function Monte Carlo (GFMC) techniques …
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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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Various Manifestation of Non -Abelian Statistics in Condensed Matter Systems
… quantum Hall state on a torus, we construct the wave functions of this state in the presence of two quasiholes [6]. These explicit wave functions allow us to compute the monodromy matrix that describes the effect of quasihole motion on the space of degenerate ground states. Our calculation …
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A theory of the electrical resistivity of liquid metals
… point. It is based on the use of ~ero-order wave functions which closely resemble Bloch functions, with perturbations depending primarily upon the short~range disorder parameters .. Although the method is similar to the one proposed and developed by GUbanov, there is one important …
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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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Strongly Correlated Systems Approach Through Quantum Monte Carlo
… of the matrices that are used in the quantum wave functions that represent these insulators.
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On numerical methods in quantum spin systems
… issues of representation of variational wave functions and their optimization. In chapter 5, I present a numerical study on the embedding of an exactly solvable point in a phase diagram of an extended Heisenberg model on a kagome lattice. Chapter 6 studies a quantum Heisenberg model on …
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The scattering and shrinking of a Gaussian wave packet by delta function potentials
… by a random potential causes localization of wave functions, and that this localization is governed by the Born postulate of quantum mechanics. We begin with a simple model system: a one-dimensional Gaussian wave packet incident from the left onto a delta function potential with a single …
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Ab Initio Computation of Radiative Properties of Monatomic Hydrogen
… principles is developed. The Schroedinger wave equation is cast as a discretized matrix eigenvalue problem which is solved using the ERAU parallel supercomputer. The numerical solutions for the wave functions are then integrated to determine the Einstein coefficients for emission and …
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Electronic States near Surfaces - a) Analysis of calculation methods using semi-infinite boundary conditions; b) Sensitive detection using laser photoelectron spectroscopy
… equations within the projector augmented wave "PAW" formalism with boundary conditions appropriate for the semi-infinite geometry of material surfaces. This method, which directly distinguishes between bulk, surface, and defect states, is an extension of the very successful …
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Topological order in the fractional quantum Hall states
… part of the thesis is concerned with the ideal wave function approach to FQH states, where the idea is to try to obtain model wave functions and model Hamiltonians for all possible FQH states and to have a physical way of characterizing their topological order. I will explain recent attempts to …
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