Extension of the renormalized Numerov method for second-order differential eigenvalue equations (Q1084841)

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Extension of the renormalized Numerov method for second-order differential eigenvalue equations
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    Extension of the renormalized Numerov method for second-order differential eigenvalue equations (English)
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    1986
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    This paper considers the numerical solution of second order eigenvalue problems of the type: \(y''(x)=p(x)y'(x)+k(x)(V_ s(x)-\lambda)y(x),\) \(x\in [a,b]\), \(\nu_ 1y(a)+\nu_ 2y'(a)=\alpha\), \(\mu_ 1y(b)+\mu_ 2y'(b)=\beta\), where \(\lambda\) denotes the eigenvalue, s is some parameter, \((\nu_ 1,\nu_ 2,\mu_ 1,\mu_ 2)\) are given constants, typically (1,0,1,0),(1,0,0,1),(0,1,1,0) and (0,1,0,1), p(x) and k(x) are continuously differentiable functions which may possess some singularity at the bounds and \(V_ s(x)\) is an analytic function. These eigenvalue problems occur in the solution of Schrödinger equations that are encountered in molecular physics. The method proposed here is an extension of the so called renormalized Numerov method in which the differential equation is approximated by a three-term finite difference equation that is transformed into a two-term backward and forward iteration. Finally some numerical examples are solved using this method and their results compared with other existing numerical methods.
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    comparison of methods
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    second order eigenvalue problems
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    Schrödinger equations
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    molecular physics
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    renormalized Numerov method
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    three-term finite difference equation
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    two-term backward and forward iteration
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    numerical examples
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