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International Conference on Mathematics and Computers in Sciences and in Industry

Weight Construction in Extended Space Expectation Values for Singular Quantum Systems at Spectral Structuring and Temporal Constancy Limit

Berfin Kalay, Metin Demіralp

Published Sep 1, 2014• 0 citations
Publisher

Abstract

We have recently shown that the operator expectation values for the quantum dynamical systems of singular Hamiltonians, cannot be expanded into temporal Maclaurin series. Depending on the nature of the system under consideration and the relevant operator, either a finite number of terms can exist while the others become infinite or the series can convergence only at the beginning of the evolution even if the coefficients of the series all exist. This however happens when the initial wave packet has some features leading us to nonintegrabilities in certain expectation values. The reason why this happens underlies beneath the fact that the certain images of the initial wave packet under certain natural number powers of the Hamiltonian become nonintegrable. This negativity can be bypassed by using certain weight functions in the expectation value definition and corresponds to working on an extended space constructed from the Hilbert space in which the initial and any time wave function lay. We have used a two parameter weight function in our most recent publication. Here, in this work, we extend the weight function to multiparameter structures where the number of parameters is more than two and may climb even up to infinity.

DOI
10.1109/mcsi.2014.22

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We have recently shown that the operator expectation values for the quantum dynamical systems of singular Hamiltonians, cannot be expanded into temporal Maclaurin series. Depending on the nature of the system under consideration and the relevant operator, either a finite number of terms can exist while the others become infinite or the series can convergence only at the beginning of the evolution even if the coefficients of the series all exist. This however happens when the initial wave packet has some features leading us to nonintegrabilities in certain expectation values. The reason why this happens underlies beneath the fact that the certain images of the initial wave packet under certain natural number powers of the Hamiltonian become nonintegrable. This negativity can be bypassed by using certain weight functions in the expectation value definition and corresponds to working on an extended space constructed from the Hilbert space in which the initial and any time wave function lay. We have used a two parameter weight function in our most recent publication. Here, in this work, we extend the weight function to multiparameter structures where the number of parameters is more than two and may climb even up to infinity.
The time variant power series expansion for the expectation value of a given quantum dynamical operator is well-known and well-investigated issue in quantum dynamics. However, depending on the operator and Hamiltonian singularities this expansion either may not exist or may not converge for all time instances except the beginning of the evolution. This work focuses on this issue and seeks certain cures for the negativities. We work in the extended space obtained by adding all images of the initial wave function under the system Hamiltonian’s positive integer powers. This requires the introduction of certain appropriately defined weight operators. The resulting better convergence in the temporal power series urges us to call the new defined entities “extended space expectation values” even though they are constructed over certain weight oparetors and are somehow pseudo expectation values.
This work is a new extension to our a very recent work whose paper will appear in the proceedings of a very recent international conference. What we have done in the previous work is the use of a weight operator to suppress the singularities causing nonexistence of some of temporal Maclaurin expansion coefficients. The weight operator has been constructed in such a way that certain number of expectation values of position operator’s first positive integer powers with and without the chosen weight operator match. Therein this match has not been considered for the momentum operator’s corresponding power expectation values and a finite linear combination of the spatial variable’s first reciprocal powers has been used in the construction of the weight operator. Here, that approach is extended to the case where matches for both position and momentum operators are considered and the weight operator involves finite linear combinations of the spatial variable’s both positive integer powers and their reciprocals.
The expectation value definitions over an extended space from the considered Hilbert space of the system under consideration is given in another paper of the second author in this symposium. There, in that paper, the conceptuality rather than specification is emphasized on. This work uses that conceptuality to investigate the time evolutions of the position related operators' expectation values not in its standard meaning but rather in a new version of the definition over not the original Hilbert space but in the space obtained by extensions via introducing the images of the given initial wave packet under the positive integer powers of the system Hamiltonian. These images may not be residing in the same space of the initial wave packet when certain singularities appear in the structure of the system Hamiltonian. This may break down the existence of the integrals in the definitions of the expectation values. The cure is the use of basis functions in the abovementioned extended space and the sandwiching of the target operator whose expectation value is under questioning by an appropriately chosen operator guaranteeing the existence of the relevant integrals. Work specifically focuses on the hydrogen-like quantum systems whose Hamiltonians contain a polar singularity at the origin.
A new method called “Fluctuation Expansion” has been recently proposed for solving quantum dynamical problems . This method is succesfully applied to the dynamics of expectation values such that not the wave function itself but the expectation values of the position and momentum operator are taken into consideration and then the expectation value of certain entities depending on position and momentum operators are expressed via fluctuation expansion. This brings an infinite number of new unknown, fundamental and associate fluctuation terms. The derivatives of expectation values of the position and momentum operators and fluctuation operators are expressed in terms of these terms again. The resulting infinite set of differential equations and accompanying initial conditions are truncated at certain fluctuation order and then tried to be solved. Here we take a one dimensional time independent Hamiltonian and consider the zeroth and first order truncations. Equations obtained in this way are investigated in the sense of phase space which is defined by the expextation values of the position and momentum operator and the fluctuations entering the truncated equations. We find certain subspaces of the phase space such that there, certain expressions remain constant . This helps us to reduce the dimension of the problem.
The problem of expanding a density operator $\ensuremath{\rho}$ in forms that simplify the evaluation of important classes of quantum-mechanical expectation values is studied. The weight function $P(\ensuremath{\alpha})$ of the PPP representation, the Wigner distribution $W(\ensuremath{\alpha})$, and the function $〈\ensuremath{\alpha}|\ensuremath{\rho}|\ensuremath{\alpha}〉$, where $|\ensuremath{\alpha}〉$ is a coherent state, are discussed from a unified point of view. Each of these quasiprobability distributions is examined as the expectation value of a Hermitian operator, as the weight function of an integral representation for the density operator and as the function associated with the density operator by one of the operator-function correspondences defined in the preceding paper. The weight function $P(\ensuremath{\alpha})$ of the PPP representation is shown to be the expectation value of a Hermitian operator all of whose eigenvalues are infinite. The existence of the function $P(\ensuremath{\alpha})$ as an infinitely differentiable function is found to be equivalent to the existence of a well-defined antinormally ordered series expansion for the density operator in powers of the annihilation and creation operators aaa and ${a}^{\ifmmode\dagger\else\textdagger\fi{}}$. The Wigner distribution $W(\ensuremath{\alpha})$ is shown to be a continuous, uniformly bounded, square-integrable weight function for an integral expansion of the density operator and to be the function associated with the symmetrically ordered power-series expansion of the density operator. The function $〈\ensuremath{\alpha}|\ensuremath{\rho}|\ensuremath{\alpha}〉$, which is infinitely differentiable, corresponds to the normally ordered form of the density operator. Its use as a weight function in an integral expansion of the density operator is shown to involve singularities that are closely related to those which occur in the PPP representation. A parametrized integral expansion of the density operator is introduced in which the weight function $W(\ensuremath{\alpha},s)$ may be identified with the weight function $P(\ensuremath{\alpha})$ of the PPP representation, with the Wigner distribution $W(\ensuremath{\alpha})$, and with the function $〈\ensuremath{\alpha}|\ensuremath{\rho}|\ensuremath{\alpha}〉$ when the order parameter sss assumes the values $s=+1, 0, \ensuremath{-}1$, respectively. The function $W(\ensuremath{\alpha},s)$ is shown to be the expectation value of the ordered operator analog of the $\ensuremath{\delta}$ function defined in the preceding paper. This operator is in the trace class for Res<0\mathrm{Res}<0Res<0, has bounded eigenvalues for Res=0\mathrm{Res}=0Res=0, and has infinite eigenvalues for s=1s=1s=1. Marked changes in the properties of the quasiprobability distribution $W(\ensuremath{\alpha},s)$ are exhibited as the order parameter sss is varied continuously from $s=\ensuremath{-}1$, corresponding to the function $〈\ensuremath{\alpha}|\ensuremath{\rho}|\ensuremath{\alpha}〉$, to s=+1s=+1s=+1, corresponding to the function $P(\ensuremath{\alpha})$. Methods for constructing these functions and for using them to compute expectation values are presented and illustrated with several examples. One of these examples leads to a physical characterization of the density operators for which the PPP representation is appropriate.
The goal of this work is, the utilization of a method recently developed by the author, in quantum dynamical problems. Main idea is based on the relation between quantum and classical dynamics such that quantum dynamical problems become their classical dynamical counterparts when they are formulated via expectation values of certain operators and the probability density tends to be sharply localized. Expectation values can be expanded into a series in ascending appearence multiplicity of the complement of the projection operator which projects the space spanned by the wave function. This expansion contains fluctuation terms as unknowns besides the expectation values. We construct an infinite set of differential equations. The finite truncations of this set enables us to approximate the quantum dynamics of the system under consideration.