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Physica Scripta

Quantum trajectories and the nuclear optical model

N A Coleta da Conceição, Brett Vern Carlson, Bill Poirier

Published Sep 28, 2023• 2 citations
Publisher

Abstract

Abstract In the context of nuclear scattering, we use the bipolar reduction of the Schrödinger equation to examine the effects of optical model absorption on incoming and outgoing scattering waves. We compare the exact solutions for these waves, obtained using a bipolar quantum trajectory-based formalism, with their approximate WKB counterparts. Aside from reducing the magnitudes of the incoming and outgoing waves, absorption smooths the variation of the potential at the turning point, reducing reflection in this region. This brings the incoming exact solution and WKB approximation into closer agreement, but tends to worsen the agreement between the outgoing solutions. Inside the turning point, the WKB approximation overestimates the inward decaying solution. The exact solution also possesses an outward going component, solely due to reflection, with no WKB counterpart.

DOI
10.1088/1402-4896/acfe5d

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Abstract In the context of nuclear scattering, we use the bipolar reduction of the Schrödinger equation to examine the effects of optical model absorption on incoming and outgoing scattering waves. We compare the exact solutions for these waves, obtained using a bipolar quantum trajectory-based formalism, with their approximate WKB counterparts. Aside from reducing the magnitudes of the incoming and outgoing waves, absorption smooths the variation of the potential at the turning point, reducing reflection in this region. This brings the incoming exact solution and WKB approximation into closer agreement, but tends to worsen the agreement between the outgoing solutions. Inside the turning point, the WKB approximation overestimates the inward decaying solution. The exact solution also possesses an outward going component, solely due to reflection, with no WKB counterpart.
In a previous paper [B. Poirier, J. Chem. Phys. 121, 4501 (2004)] a unique bipolar decomposition Ψ=Ψ1+Ψ2 was presented for stationary bound states Ψ of the one-dimensional Schrödinger equation, such that the components Ψ1 and Ψ2 approach their semiclassical WKB analogs in the large-action limit. The corresponding bipolar quantum trajectories, as defined in the usual Bohmian mechanical formulation, are classical-like and well behaved, even when Ψ has many nodes or is wildly oscillatory. A modification for discontinuous potential stationary scattering states was presented in a second, companion paper [C. Trahan and B. Poirier, J. Chem. Phys.124, 034115 (2006), previous paper], whose generalization for continuous potentials is given here. The result is an exact quantum scattering methodology using classical trajectories. For additional convenience in handling the tunneling case, a constant-velocity-trajectory version is also developed.
In a previous paper [B. Poirier, J. Chem. Phys. 121, 4501 (2004)] a unique bipolar decomposition, psi = psi1 + psi2, was presented for stationary bound states Psi of the one-dimensional Schrodinger equation, such that the components psi1 and psi2 approach their semiclassical WKB analogs in the large action limit. Moreover, by applying the Madelung-Bohm ansatz to the components rather than to Psi itself, the resultant bipolar Bohmian mechanical formulation satisfies the correspondence principle. As a result, the bipolar quantum trajectories are classical-like and well behaved, even when psi has many nodes or is wildly oscillatory. In this paper, the previous decomposition scheme is modified in order to achieve the same desirable properties for stationary scattering states. Discontinuous potential systems are considered (hard wall, step potential, and square barrier/well), for which the bipolar quantum potential is found to be zero everywhere, except at the discontinuities. This approach leads to an exact numerical method for computing stationary scattering states of any desired boundary conditions, and reflection and transmission probabilities. The continuous potential case will be considered in a companion paper [C. Trahan and B. Poirier, J. Chem. Phys. 124, 034116 (2006), following paper].
Solution of the Schrödinger's equation in the zero order WKB approximation is analyzed. We observe and investigate several remarkable features of the WKB0_00​ method. Solution in the whole region is built with the help of simple connection formulas we derive from basic requirements of continuity and finiteness for the wave function in quantum mechanics. We show that, for conservative quantum systems, not only total energy, but also momentum is the constant of motion. We derive the quantization conditions for two and more turning point problems. Exact energy eigenvalues for solvable and some ``insoluble'' potentials are obtained. The eigenfunctions have the form of a standing wave, Ancos⁡(knx+δn)A_n\cos(k_nx+δ_n)An​cos(kn​x+δn​), and are the asymptote of the exact solution.
In previous articles (J. Chem. Phys. 2004, 121, 4501; 2006, 124, 034115; 2006, 124, 034116) a bipolar counter-propagating wave decomposition, Psi = Psi+ + Psi-, was presented for stationary states Psi of the one-dimensional Schrödinger equation, such that the components Psi+/- approach their semiclassical WKB analogs in the large action limit. The corresponding bipolar quantum trajectories are classical-like and well-behaved, even when Psi has many nodes or is wildly oscillatory. In this paper, the method is generalized for multisurface scattering applications and applied to several benchmark problems. A natural connection is established between intersurface transitions and (+ <--> -) transitions.
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.