کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
499962 863067 2007 13 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Orbital HP-Clouds for solving Schrödinger equation in quantum mechanics
موضوعات مرتبط
مهندسی و علوم پایه مهندسی کامپیوتر نرم افزارهای علوم کامپیوتر
پیش نمایش صفحه اول مقاله
Orbital HP-Clouds for solving Schrödinger equation in quantum mechanics
چکیده انگلیسی

Solving Schrödinger equation in quantum mechanics presents a challenging task in numerical methods due to the high order behavior and high dimension characteristics in the wave functions, in addition to the highly coupled nature between wave functions. This work introduces orbital and polynomial enrichment functions to the partition of unity for solution of Schrödinger equation under the framework of HP-Clouds. An intrinsic enrichment of orbital function and extrinsic enrichment of monomial functions are proposed. Due to the employment of higher order basis functions, a higher order stabilized conforming nodal integration is developed. The proposed methods are implemented using the density functional theory for solution of Schrödinger equation. Analysis of several single and multi-electron/nucleus structures demonstrates the effectiveness of the proposed method.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Methods in Applied Mechanics and Engineering - Volume 196, Issues 37–40, 1 August 2007, Pages 3693–3705
نویسندگان
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