Dissertations / Theses on the topic 'Schr??dinger equation'

This thesis demonstrates how the geometric connection between the integrable Heisenberg spin equation, the nonlinear Schr??dinger equation and fluid flows with constant velocity magnitude along individual streamlines may be exploited. Specifically, we are able to construct explicitly the complete class of constant speed flows where the constant pressure surfaces constitute surfaces of revolution. This class is undoubtedly important as it contains many of the specific cases discussed earlier by other authors.

Multisymplectic integrators like Preissman and six-point schemes and a semi-explicit symplectic method are applied to the coupled nonlinear Schrö
dinger equations (CNLSE). Energy, momentum and additional conserved quantities are preserved by the multisymplectic integrators, which are shown using modified equations. The multisymplectic schemes are backward stable and non-dissipative. A semi-explicit method which is symplectic in the space variable and based on linear-nonlinear, even-odd splitting in time is derived. These methods are applied to the CNLSE with plane wave and soliton solutions for various combinations of the parameters of the equation. The numerical results confirm the excellent long time behavior of the conserved quantities and preservation of the shape of the soliton solutions in space and time.

The Schrödinger equation ... is considered. The solution of this equation is reduced to the problem of finding the eigenvectors of an infinite matrix. The infinite matrix is truncated to a finite matrix. The approximation due to the truncation is carefully studied. The band structure of the eigenvalues is shown. The eigenvectors of the multiwells potential are presented. The solutions of Schrödinger equation are calculated. The results are very sensitive to the value of the parameter y. Localized solutions, in the case that the energy is slightly greater than the maximum value of the potential, are presented. Wigner and Weyl functions, corresponding to the solutions of Schrödinger equation, are also studied. It is also shown that they are very sensitive to the value of the parameter y.

In this thesis, the main perturbation problems encountered in quantum mechanics have been studied.Since the special functions and orthogonal polynomials appear very extensively in such problems, we emphasize on those topics as well. In this context, the classical quantum mechanical anharmonic oscillators described mathematically by the one-dimensional Schr¨
odinger equation have been treated perturbatively in both finite and infinite intervals, corresponding to confined and non-confined systems, respectively.

In this thesis, a survey on pseudospectral methods for differential equations is presented. Properties of the classical orthogonal polynomials required in this context are reviewed. Differentiation matrices corresponding to Jacobi, Laguerre,and Hermite cases are constructed. A fairly detailed investigation is made for the Hermite spectral methods, which is applied to the Schrö
dinger eigenvalue equation with several potentials. A discussion of the numerical results and comparison with other methods are then introduced to deduce the effciency of the method.

In this thesis, a general pseudospectral formulation for a class of Sturm-Liouville eigenvalue problems is consructed. It is shown that almost all, regular or singular, Sturm-Liouville eigenvalue problems in the Schrö
dinger form may be transformed into a more tractable form. This tractable form will be called here a weighted equation of hypergeometric type with a perturbation (WEHTP) since the non-weighted and unperturbed part of it is known as the equation of hypergeometric type (EHT). It is well known that the EHT has polynomial solutions which form a basis for the Hilbert space of square integrable functions. Pseudospectral methods based on this natural expansion basis are constructed to approximate the eigenvalues of WEHTP, and hence the energy eigenvalues of the Schrö
dinger equation. Exemplary computations are performed to support the convergence numerically.

In this thesis, the properties of the Bose-Einstein condensation (BEC) in low dimensions are reviewed. Three dimensional weakly interacting Bose systems are examined by the variational method. The effects of both the attractive and the repulsive interatomic forces are studied. Thomas-Fermi approximation is applied to find the ground state energy and the chemical potential. The occurrence of the BEC in low dimensional systems, is studied for ideal gases confined by both harmonic and power-law potentials. The properties of BEC in highly anisotropic trap are investigated and the conditions for reduced dimensionality are derived.

The one dimensional position dependent effective mass problem is studied by solving the Schrö
dinger equation for some well known potentials, such as the deformed Hulthen, the Mie, the Kratzer, the pseudoharmonic, and the Morse potentials. Nikiforov-Uvarov method is used in the calculations to get energy eigenvalues and the corresponding wave functions exactly. By introducing a free parameter in the transformation of the wave function, the position dependent effective mass problem is reduced to the solution of the Schrö
dinger equation for the constant mass case. At the same time, the deformed Hulthen potential is solved for the position dependent effective mass case by applying the method directly. The Morse potential is also solved for a mass distribution function, such that the solution can be reduced to the constant mass case.

This thesis is concerned with the well-posedness of the one-dimensional derivative non-linear Schrodinger equation (DNLS). In particular, we study the initial-value problem associated to DNLS with low-regularity initial data in two settings: (i) on the torus (namely with the periodic boundary condition) and (ii) on the real line. Our first main goal is to study the global-in-time behaviour of solutions to DNLS in the periodic setting, where global well-posedness is known to hold under a small mass assumption. In Chapter 2, we relax the smallness assumption on the mass and establish global well-posedness of DNLS for smooth initial data. In Chapter 3, we then extend this result for rougher initial data. In particular, we employ the I-method introduced by Colliander, Keel, Staffilani, Takaoka, and Tao and show the global well-posedness of the periodic DNLS at the end-point regularity. In the implementation of the I-method, we apply normal form reductions to construct higher order modified energy functionals. In Chapter 4, we turn our attention to the uniqueness of solutions to DNLS on the real line. By using an infinite iteration of normal form reductions introduced by Guo, Kwon, and Oh in the context of one-dimensional cubic NLS on the torus, we construct solutions to DNLS without using any auxiliary function space. As a result, we prove the unconditional uniqueness of solutions to DNLS on the real line in an almost end-point regularity.

Three-dimensional gravity-capillary steady waves on water of finite-depth, which are uniformly translating in a horizontal propagation direction and periodic in a transverse direction, are considered. The exact Euler equations are formulated as a spatial dynamic system in which the variable used for the propagating direction is the time-like variable. The existence of the solutions of the system is determined by two non-dimensional constants: the Bond number b and λ (the inverse of the square of the Froude number). The property of Sobolev spaces and the spectral analysis show that the spectrum of the linear part consists of isolated eigenvalues of finite algebraic multiplicity and the number of purely imaginary eigenvalues are finite. The distribution of eigenvalues is described by b and λ. Assume that C₁ is the curve in (b,λ)-plane on which the first two eigenvalues for three-dimensional waves collide at the imaginary axis, and that the intersection point of the curve C₁ with the line λ=1 is (b₀,1) where b₀>0. Two cases (b₀,1) and (b,λ) â C₁ where 0< b< b₀ are investigated. A center-manifold reduction technique and a normal form analysis are applied to show that for each case the dynamical system can be reduced to a system of ordinary differential equations with finite dimensions. The dominant system for the case (b₀,1) is coupled Schrödinger-KdV equations while it is a Schrödinger equation for another case (b,λ) â C₁. Then, from the existence of the homoclinic orbit connecting to the two-dimensional periodic solution (called generalized solitary wave) for the dominant system, it is obtained that such generalized solitary wave solution persists for the original system by using the perturbation method and adjusting some appropriate constants.
Ph. D.

In non-relativistic quantum mechanics, stationary states of molecules and atoms are described by eigenvectors of the Hamiltonian operator. For one-electron systems, such as the hydrogen atom, the solution of the eigenvalue problem (Schro ̈dinger’s equation) is straightforward, and the results show excellent agreement with experiment. Despite this success, the multi electron problem corresponding to virtually every system of interest in chemistry has resisted attempts at exact solution. Perhaps the most popular method for obtaining approximate, yet very accurate results for the ground states of molecules is the coupled cluster approximation. Coupled cluster methods move beyond the simple, average field Hartree-Fock approximation by including the effects of excited configurations generated in a size consistent manner. In this paper, the coupled cluster approximation is developed from first principles. Diagrammatic methods are introduced which permit the rapid calculation of matrix elements appearing in the coupled cluster equations, along with a systematic approach for unambiguously determining all necessary diagrams. A simple error bound is obtained for the ground state energy by considering the coupled cluster equations as entries in the first column of a matrix whose eigenvalues are the exact eigenvalues of the Hamiltonian. In addition, a strategy is considered for treating the error in the ground state energy perturbatively.

The computation of Schrödinger equations in the semiclassical regime presents several enduring challenges due to the presence of the small semiclassical parameter. Standard approaches for solving these equations commence with spatial discretisation followed by exponentiation of the discretised Hamiltonian via exponential splittings. In this thesis we follow an alternative strategy${-}$we develop a new technique, called the symmetric Zassenhaus splitting procedure, which involves directly splitting the exponential of the undiscretised Hamiltonian. This technique allows us to design methods that are highly efficient in the semiclassical regime. Our analysis takes place in the Lie algebra generated by multiplicative operators and polynomials of the differential operator. This Lie algebra is completely characterised by Jordan polynomials in the differential operator, which constitute naturally symmetrised differential operators. Combined with the $\mathbb{Z}_2$-graded structure of this Lie algebra, the symmetry results in skew-Hermiticity of the exponents for Zassenhaus-style splittings, resulting in unitary evolution and numerical stability. The properties of commutator simplification and height reduction in these Lie algebras result in a highly effective form of $\textit{asymptotic splitting:} $exponential splittings where consecutive terms are scaled by increasing powers of the small semiclassical parameter. This leads to high accuracy methods whose costs grow quadratically with higher orders of accuracy. Time-dependent potentials are tackled by developing commutator-free Magnus expansions in our Lie algebra, which are subsequently split using the Zassenhaus algorithm. We present two approaches for developing arbitrarily high-order Magnus--Zassenhaus schemes${-}$one where the integrals are discretised using Gauss--Legendre quadrature at the outset and another where integrals are preserved throughout. These schemes feature high accuracy, allow large time steps, and the quadratic growth of their costs is found to be superior to traditional approaches such as Magnus--Lanczos methods and Yoshida splittings based on traditional Magnus expansions that feature nested commutators of matrices. An analysis of these operatorial splittings and expansions is carried out by characterising the highly oscillatory behaviour of the solution.

Tese (doutorado)—Universidade de Brasília, Instituto de Ciências Exatas, 2015.
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Neste trabalho, consideramos o problema autônomo {(-∆u+V(x)u=f(u) em R^N,@u∈H^1 (R^N)\\{0},)┤ em que N≥3, a função V é não periódica, radialmente simétrica e muda de sinal e a não linearidade f é assintoticamente linear. Além disso, impomos que V possui um limite positivo no infinito e que o espectro do operador L≔-∆+V tem ínfimo negativo. Sob essas condições, baseando-se em interações entre soluções transladadas do problema no infinito associado, é possível mostrar que tal problema satisfaz a geometria do teorema de linking clássico e garantir a existência de uma solução fraca não trivial. Em seguida, estabelecemos a existência de uma solução não trivial para o problema não autônomo {(-∆u+V(x)u=f(x,u) em R^N,@u∈H^1 (R^N)\\{0},)┤ sob hipóteses similares ao problema anterior, admitindo também que f(x,u)=f(|x|,u) dentre outras condições. Aplicamos novamente o teorema de linking para garantir que tal problema possui uma solução não trivial. Por fim, provamos que o problema quasilinear {(-∆u+V(x)u-u∆(u^2)=g(x,u) em R^3,@u∈H^1 (R^3)\\{0},)┤ em que o potencial V muda de sinal, podendo ser não limitado inferiormente, e a não linearidade g(x,u), quando |x|→∞, possui um certo tipo de monotonicidade, possui uma solução não trivial. A existência de tal solução é provada por meio de uma mudança de variável que transforma o problema num problema semilinear, nos permitindo, assim, empregar o teorema do passo da montanha combinado com o lema splitting.
In this work, we consider the autonomous problem {(-∆u+V(x)u=f(u) em R^N,@u∈H^1 (R^N)\\{0},)┤ where N≥3, V is a non-periodic radially symmetric function that changes sign and the nonlinearity f is asymptotically linear. Furthermore, we impose that V has a positive limit at infinity and the spectrum of the operator L≔-∆+V has negative infimum. Under these conditions, employing interaction between translated solutions of the problem at infinity, it is possible to show that such problem satisfies the geometry of the classical linking theorem and garantee the existence of a nontrivial weak solution. After that, we establish the existence of a nontrivial weak solution for the nonautonomous problem {(-∆u+V(x)u=f(x,u) em R^N,@u∈H^1 (R^N)\\{0},)┤ under similar hyphoteses to the previous problem, assuming also that f(x,u)=f(|x|,u) among others conditions. We apply again the classical linking theorem to ensure that such problem possesses a nontrivial weak solution. Finally, we prove that the quasilinear problem {(-∆u+V(x)u-u∆(u^2)=g(x,u) em R^3,@u∈H^1 (R^3)\\{0},)┤ where the potential V changes sign and may be unbounded from below and the nonlinearity g(x,u), as|x|→∞, has a kind of monotonicity, has a nontrivial weak solution. The existence of such solution is proved by means of a change of variables that makes the problem become a semilinear problem and hence allow us apply the mountain pass theorem combined with splitting lemma.

abstract: Nonlinear dispersive equations model nonlinear waves in a wide range of physical and mathematics contexts. They reinforce or dissipate effects of linear dispersion and nonlinear interactions, and thus, may be of a focusing or defocusing nature. The nonlinear Schrödinger equation or NLS is an example of such equations. It appears as a model in hydrodynamics, nonlinear optics, quantum condensates, heat pulses in solids and various other nonlinear instability phenomena. In mathematics, one of the interests is to look at the wave interaction: waves propagation with different speeds and/or different directions produces either small perturbations comparable with linear behavior, or creates solitary waves, or even leads to singular solutions. This dissertation studies the global behavior of finite energy solutions to the $d$-dimensional focusing NLS equation, $i partial _t u+Delta u+ |u|^{p-1}u=0, $ with initial data $u_0in H^1,; x in Rn$; the nonlinearity power $p$ and the dimension $d$ are chosen so that the scaling index $s=frac{d}{2}-frac{2}{p-1}$ is between 0 and 1, thus, the NLS is mass-supercritical $(s>0)$ and energy-subcritical $(s<1).$ For solutions with $ME[u_0]<1$ ($ME[u_0]$ stands for an invariant and conserved quantity in terms of the mass and energy of $u_0$), a sharp threshold for scattering and blowup is given. Namely, if the renormalized gradient $g_u$ of a solution $u$ to NLS is initially less than 1, i.e., $g_u(0)<1,$ then the solution exists globally in time and scatters in $H^1$ (approaches some linear Schr"odinger evolution as $ttopminfty$); if the renormalized gradient $g_u(0)>1,$ then the solution exhibits a blowup behavior, that is, either a finite time blowup occurs, or there is a divergence of $H^1$ norm in infinite time. This work generalizes the results for the 3d cubic NLS obtained in a series of papers by Holmer-Roudenko and Duyckaerts-Holmer-Roudenko with the key ingredients, the concentration compactness and localized variance, developed in the context of the energy-critical NLS and Nonlinear Wave equations by Kenig and Merle. One of the difficulties is fractional powers of nonlinearities which are overcome by considering Besov-Strichartz estimates and various fractional differentiation rules.
Dissertation/Thesis
Ph.D. Mathematics 2011

碩士
國立交通大學
物理研究所
99
Quantum mechanical wave function in momentum space with generalized pseudospectral method, we can save the amount of computation and that the error are small, and the result can be obtained with more easily way. Then we can apply those complete set of wave functions to other theory, such as perturbation theory, strong field approximation (SFA), etc., providing a simple and fast calculation tool to determine the motion of photonelectron in a strong laser field.