کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
502772 863722 2006 16 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Solution of the Schrödinger equation by a high order perturbation method based on a linear reference potential
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Solution of the Schrödinger equation by a high order perturbation method based on a linear reference potential
چکیده انگلیسی

The paper is devoted to the enhancement of the accuracy of the line-based perturbation method via the introduction of the perturbation corrections. We effectively construct the first and the second order corrections. We also perform the error analysis to predict that the introduction of successive corrections substantially enhances the order of the method from four, for the zeroth order version, to six and ten when the first and the second-order corrections are included. In order to remove the effect of the accuracy loss due to near-cancellation of like-terms when evaluating the perturbation corrections we construct alternative asymptotic formulae using a Maple code. We also propose a procedure for choosing the step size in terms of the preset accuracy and give a number of numerical illustrations.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Physics Communications - Volume 175, Issue 6, 15 September 2006, Pages 424–439
نویسندگان
, , , , ,