کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
503581 863784 2007 11 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Fast LP method for the Schrödinger equation
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Fast LP method for the Schrödinger equation
چکیده انگلیسی

The LP and CP methods are two versions of the piecewise perturbation methods to solve the Schrödinger equation. On each step the potential function is approximated by a constant (for CP) or by a linear function (for LP) and the deviation of the true potential from this approximation is treated by the perturbation theory.This paper is based on the idea that an LP algorithm can be made faster if expressed in a CP-like form. We obtain a version of order 12 whose two main ingredients are a new set of formulae for the computation of the zeroth-order solution which replaces the use of the Airy functions, and a convenient way of expressing the formulae for the perturbation corrections. Tests on a set of eigenvalue problems with a very big number of eigenvalues show that the proposed algorithm competes very well with a CP version of the same order and is by one order of magnitude faster than the LP algorithms existing in the literature. We also formulate a new technique for the step width adjustment and bring some new elements for a better understanding of the energy dependence of the error for the piecewise perturbation methods.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Physics Communications - Volume 177, Issue 12, 15 December 2007, Pages 897–907
نویسندگان
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