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A Variational Pertubation Approach

Lorenzo Chua Chan, A. Villanueva

Published Dec 1, 2004• 0 citations
OpenAlex

Abstract

The paper discusses how the variationally inspired perturbation theory (VIPT) scheme of approximation in quantum mechanics can be improved convergencewise if one uses for variational trial functions the perturbative series with variational parameter, so that one is effectively doing variational calculations directly on the high-order perturbative series for energy. The result optimizes the high-order energy directly and thus represents a significant improvement over the VIPT procedure. When applied to a double potential in which even the VIPT is badly divergent, we saw that the result is still very much convergent.

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The paper discusses how the variationally inspired perturbation theory (VIPT) scheme of approximation in quantum mechanics can be improved convergencewise if one uses for variational trial functions the perturbative series with variational parameter, so that one is effectively doing variational calculations directly on the high-order perturbative series for energy. The result optimizes the high-order energy directly and thus represents a significant improvement over the VIPT procedure. When applied to a double potential in which even the VIPT is badly divergent, we saw that the result is still very much convergent.
Following previous work in which a variational method for the many-body problem was proposed wherein an effective potential $\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{V}$ was introduced as a variational parameter to construct a trial wave function, we apply the method to the two-dimensional electron gas. In the method, every physical quantity is expanded in powers of $\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{V}$ instead of the bare potential as in the usual perturbation-theoretic approach. Because of this choice of expansion parameter, the expansion series converges rapidly even in the strong-coupling region. The result for the correlation energy in the two-dimensional electron gas agrees very well with that given by the variational Monte Carlo method even in the lowest-order calculation (i.e., to second order in $\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{V}$). The difference is within several percent for 1<rs<1001<{r}_{s}<1001<rs​<100.
Modern computers have made possible the evaluation of higher order terms of perturbation series. Apart from the empirical work involving numerical calculations, much formal mathematical work has been done on the convergence properties of perturbation series and of Pade approximants which represent them. Some of the modern work in perturbation theory is reviewed in the context of traditional results from the theory of real and complex variables. The two major versions of time-independent perturbation theory, the Rayleigh-Schrodinger (RS) and Brillouin-Wigner (BW) theories, are compared and contrasted, and the alternative techniques for evaluating the terms in the energy series are discussed. The sum-over-states method, the differential equation method and the variational principle method are treated, with emphasis on their inter-relations.
A self-contained pedagogical introduction to the functional Schrödinger picture method of many-body theory is given at a level suitable for graduate students and also for many-body physicists who have not been exposed to the functional Schrödinger picture method previously. Mathematical tools necessary for the functional Schrödinger picture calculation are introduced. The method is first applied to various condensed matter problems including the electron gas, the Hubbard model, the BCS superconductivity, and dilute bose gas within the variational approximation. It is shown that the variational approximation with the Gaussian trial functional invariably leads into the Hartree-Fock results for both zero and finite temperature cases. In order to go beyond the Gaussian results, concepts of variational and optimized perturbation theories are introduced using simple quantum mechanical languages. Then, the variational perturbation theory in the functional Schrödinger picture is applied to the λϕ4λϕ^4λϕ4 model to yield the effective potential to the third order. The optimized perturbation theory is also applied to the λϕ4λϕ^4λϕ4 model to yield a general expression up to the second order.
An exactly solvable time-dependent quantum mechanical problem is employed to study the convergence properties of transition amplitudes calculated by using the Schwinger variational principle. A detailed comparison between the amplitudes approximated by the perturbative series and by their associated Schwinger variational principles is performed. The much better performance obtained by the variational principle is documented through different case studies. For a given order of the Schwinger principle, it is observed that the transition amplitudes do not converge to the exact one for large perturbations. The latter is true even though large combinations of unperturbed states with constant coefficients are taken as trial wave functions. As a matter of fact, it is shown that the improvement of the method comes from using better trial wave functions and increasing the order of the Schwinger principle employed.
In chapters 13 and 14 we focused on perturbation theories for time-independent and time-dependent perturbations. For time-independent perturbations we obtained first-order and second-order corrections to energy eigenvalues and eigenfunctions. For time-dependent perturbations we obtained the probability for a system to make a transition from an ith initial state to fth final state. We have also discussed how to study the effect of adiabatic and sudden perturbations. In the present chapter we consider the variational method. The variational method can be used to construct an approximate ground state eigenfunction. In some cases the method can be used for finding approximately the energy of first few discrete states of a bound system. The perturbation theory uses a set of unperturbed states and the perturbation Hamiltonian H(1) to construct the eigenfunctions and eigenvalues through highly formalized approximations. In contrast, the variational method is based on a guess for the state-a trial state which is used to determine the corresponding energy. Any well behaved trial state introduced will yield an appropriate energy, although some trial states will be better than other, but whatever the guess, we can always make systematic improvements. We can construct a reasonably accurate eigenfunction often by a physical insight and ingenuity.