Numerical solution of the Schrödinger equation with a non-local exchange kernel

DOI10.1016/0021-9991(87)90046-5MaRDI QIDQ1089779zbMATH OpenOpenAlexFDO

Authors Dipak H. Oza, Joseph Callaway

Publication date 1987

Published in Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/0021-9991(87)90046-5

zbMATH Keywords

electron scatteringGreen's functionshydrogenic ionsNewton-Cotes formulaenonlocal exchange kernelnumerical stabilityscattering problemsSchrödinger's equationYukawa potential

Mathematics Subject Classification ID

Integral equations with miscellaneous special kernels (45H05) Numerical methods for integral equations (65R20) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Quantum scattering theory (81U99)

Review text

This paper describes a numerical method for the solution of an integral form of Schrödinger's equation suitable for scattering problems. Examples are given of the scattering of a slow electron by a Yukawa potential and also by hydrogenic ions. The method essentially consists of discretization of the integral equation \[ u(r)=f(Kr)- \int^{\infty}_{0}G(r,x)V(x)u(x)x^ 2 dx-\int^{\infty}_{0}x^ 2u(x)\int^{\infty}_{0}G(r,y)W(y,x)y^ 2 dy dx \] so that the points used include those which are used in the numerical integration formulae for the integrals involving u. Another problem is that G and W have discontinuous derivatives and are changing rapidly. However high order Newton-Cotes formulae are used to deal with this problem in a form such as \[ \int^{x_ 0+h}_{x_ 0}y dx=Ay_ 0+By_ 1+Cy_ 2+Dy_ 3+Ey_ 4 \] where the values \(y_ 2,\) \(y_ 3\) and \(y_ 4\) are the analytic continuation of the integrand rather than the values of the integrand.

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Cites work

• Application of the El-Gendi method to the Schrödinger integral equation
• Chebyshev Solution of Differential, Integral and Integro-Differential Equations
• Comparison of numerical solutions of the partial-wave Schrödinger differential and integral equations
• The Scattering of Thermal Neutrons by Deuterons

Cited in

(6)

• High-order Newton-Cotes integration methods in scattering theory
• Scattering in the framework of the Green's function Monte-Carlo method
• Solving many-body Schrödinger equations with kinetic energy partition method
• On the numerical solution of Lippmann-Schwinger equation
• Singular value decomposition solution of the Schrödinger equation in the presence of exchange terms
• An analytical approach to the Schrödinger-Newton equations

Describes a project that uses

Uses Software

• IMSL Numerical Libraries

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