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Physical Review A

Quantization scheme for arbitrary one-dimensional potential wells

Zhuangqi Cao, Qing Liu, Qishun Shen, Xiaoming Dou, Yingli Chen, Yukihiro Ozaki

Published Apr 13, 2001• 53 citations
Publisher

Abstract

A formalism that utilizes the analytic transfer matrix technique is applied to the Schr\"odinger equation. This approach leads to proofs that the phase loss at a turning point is exactly equal to \ensuremath{\pi}. We also show the existence of the phase contributions devoted by the scattered subwaves, which to our knowledge, have never been taken into account in previous works. Subsequently, an exact quantization condition, which differs essentially from the WKB method, is introduced for arbitrary potential wells.

DOI
10.1103/physreva.63.054103

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A formalism that utilizes the analytic transfer matrix technique is applied to the Schr"odinger equation. This approach leads to proofs that the phase loss at a turning point is exactly equal to \ensuremath{\pi}. We also show the existence of the phase contributions devoted by the scattered subwaves, which to our knowledge, have never been taken into account in previous works. Subsequently, an exact quantization condition, which differs essentially from the WKB method, is introduced for arbitrary potential wells.
The method of Froman and Froman for proving exact quantization conditions is reviewed. This formalism, unlike the usual WKB approximation to which it bears a close resemblance, requires consideration of the behavior of the potential everywhere it is defined. This approach leads to proofs that certain quantization conditions are exact without having to compare the results to solutions of the Schrödinger equation obtained by other means. Using the formalism, we prove the correctness of all previously known exact quantization rules for the one-dimensional and radial cases. Furthermore, it is shown that exact quantization rules can be proved for two other potentials. For one of these, no analytic solutions to the Schrödinger equation are known. For the latter case, the proof is checked by numerical integration of the Schrödinger equation for a special case.
A simple, yet accurate, method of solving the Schrödinger equation across an arbitrary potential barrier is described, based on the analytic transfer-matrix technique. This paper gives the final analytical expression for the transmission probability. Numerical calculations for four typical potential barrier structures are compared with the traditional WKB, modified WKB and the modified Airy function (MAF) methods. Excellent agreement with an exact example is demonstrated. Most importantly, in cases where other potential-barrier methods fail, our method performs well.
A method of approximating solutions of the one-dimensional Schr\"odinger equation is presented in this paper. The method closely resembles the usual WKB approximation. Whereas in the ordinary WKB method the exponential function is used as the basis of the approximation, in this paper the solutions of an arbitrary Schr\"odinger equation are used. The general advantage is that by proper choice of the arbitrary equation an improved approximation can be obtained. The method is illustrated by treating the potential well and potential barrier problems when there are two turning points. The approximations to the wave functions are continuous even across the turning points. The barrier transmission problem is treated uniformly for energies above and below the peak of the barrier.
An algebraic reformulation of the Bohr - Sommerfeld (BS) quantization rule is suggested and applied to the study of bound states in one-dimensional quantum wells. The energies obtained with the present quantization rule are compared to those obtained with the usual BS and WKB quantization rules and with the exact solution of the Schrödinger equation. We find that, in diverse cases of physical interest in molecular physics, the present quantization rule not only yields a good approximation to the exact solution of the Schrödinger equation, but yields more precise energies than those obtained with the usual BS and/or WKB quantization rules. Among the examples considered numerically are the Poeschl - Teller potential and several anharmonic oscillator potentials, which simulate molecular vibrational spectra and the problem of an isolated quantum well structure subject to an external electric field.
A simple yet exact method of solving the Schrodinger equation across an arbitrary one-dimensional piecewise-linear potential is described. It is based on the analytical solution of the Schrodinger equation across a linear potential, where the solution can be expressed as a linear combination of the Airy functions. Proper boundary conditions are imposed at the interface between adjacent linear intervals of the potential, and a transfer-matrix procedure is utilized in the derivation. The quantum mechanical transmission coefficient across a potential barrier and eigenenergies of a potential well can also be easily calculated using this method.