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Far East Journal of Dynamical Systems

SIGN SOLVED PROPAGATOR OF A TWO ELECTRONS 2D ATOM AND APPLICATION

Emmanouil George Thrapsaniotis

Published Feb 15, 2011• 0 citations
Publisher

Abstract

In the present paper, we calculate the sign solved propagator of a two electrons two dimensional (2D) atom by solving the sign problem. We apply the sign solved propagator expression to the evaluation of the geometric phase of the ground state of the 2D helium atom that is derived variationally. 2D quantum dots are another possible area of application of the present theory.

DOI
10.17654/0972111810039

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In the present paper, we calculate the sign solved propagator of a two electrons two dimensional (2D) atom by solving the sign problem. We apply the sign solved propagator expression to the evaluation of the geometric phase of the ground state of the 2D helium atom that is derived variationally. 2D quantum dots are another possible area of application of the present theory.
We present a two-dimensional analysis of the two-electron problem which comes from the classical conservation theorems and from which we obtain a version of the Dirac equation for the helium atom. Approximate solutions for this equation are discussed in two different methods, although in principle it can be solved analytically. One method is variational, of the Hylleraas type, the execution of which is left for a later communication. In contrast, the other method will have a more complete treatment, in which the set of equations will be separated into its angular and radial components. Furthermore, an exact solution for the angular component will be displayed as well as an approximate solution for the radial component, valid only for the fundamental state of the atom.
With the use of the known solution of the Schrödinger equation for an electron in the nucleus field in the polar coordinates, the energy of a “two-dimensional” two-electron atom in the ground state, as well as its single ionization energy, has been calculated both in perturbation theory and with an almost century-old method of variation of the parameter Z in a trial wavefunction of the ground state. Since such two-dimensional atoms, e.g., helium atoms, can in principle be implemented in experiments by “freezing” of one degree of freedom in the phase of Bose–Einstein condensate, the conclusions made in this work can be tested. Fundamental features of the calculation of the energy of “one-dimensional” two-electron atoms and the formation of their Bose–Einstein condensate have also been discussed. The results obtained in this work coincide in a number of particular cases with the results obtained in a previous work, where some results were absent.
It is well known that the use of the primitive second-order propagator in path-integral Monte Carlo calculations of many-fermion systems leads to the sign problem. This work will show that by using the similarity-transformed Fokker-Planck propagator, it is possible to solve for the ground state of a large quantum dot, with up to 100 polarized electrons, without solving the sign problem. These similarity-transformed propagators naturally produce rotational symmetry-breaking ground-state wave functions previously used in the study of quantum dots and quantum Hall effects. However, instead of localizing the electrons at positions that minimize the potential energy, this derivation shows that they should be located at positions that maximize the bosonic ground-state wave function. Further improvements in the energy can be obtained by using these as initial wave functions in a ground-state path-integral Monte Carlo calculation with second- and fourth-order propagators.
In this chapter we study the energy levels of two-electron atoms, principally helium. A two-electron atom is a system of three interacting particles, a problem extremely difficult to analyze within classical mechanics. Since the mass of the nucleus is much larger than that of the electrons, the nuclear motion may be ignored and the problem reduces to two interacting particles moving in an external potential. This is still difficult to solve within classical mechanics. The old Bohr-Sommerfeld quantum mechanics also had little success with this problem. Thus it was a critical triumph for wave mechanics to provide correct calculations of the energy levels of two-electron atoms. Indeed it is remarkable that very little effort is required, as we shall see, to give a good estimate for the ground state energy. Further calculations for two-electron atoms provided six-figure agreement between theory and experiment, a striking proof of the validity of wave mechanics.
Abstract The Hamiltonian and wavefunctions of two-dimensional two-electron quantum dots (2D2eQD) in parabolic confinement are determined. The ground and excited state energies are calculated solving the Schrödinger equation analytically and numerically. To determine the energy eigen-value of the system variational method is employed due to the large coupling constant λ ≈ 1.1 \lambda \approx 1.1 . The trial wavefunctions are developed for both ground and excited states. The ground state wave function is a para state and the excited state wavefunctions belong to both para and ortho states based on the symmetry and antisymmetry of spatial wavefunctions. Using the obtained energy eigen-values at the two states, the first- and third-order nonlinear absorption coefficient and refractive index are analytically obtained with the help of density matrix formalism and iterative procedure.