Development of a General and Effective Program B-Spline R-Matrix program for Charged-Particle and Photon Collisions with Atoms, Ions, and Molecules
开发通用且有效的程序 B 样条 R 矩阵程序,用于带电粒子和光子与原子、离子和分子的碰撞
基本信息
- 批准号:1520970
- 负责人:
- 金额:$ 18.22万
- 依托单位:
- 依托单位国家:美国
- 项目类别:Continuing Grant
- 财政年份:2015
- 资助国家:美国
- 起止时间:2015-08-01 至 2019-07-31
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
The purpose of this project is to continue the development of a fully relativistic computer code for electron and photon interactions with atoms and ions. The code has already been employed in a number of benchmark calculations to obtain highly accurate atomic data of critical importance for fundamental research and practical applications. In particular, the code is being used to model the physics and chemistry of astrophysical and laboratory plasmas, lasers, and planetary atmospheres. The computer code will be made available to the general public through an open-source license and a designated website. Undergraduate students will be trained in modern computational methods through developing and testing individual modules of the package. This includes running the code on massively parallel computing platforms provided through the eXtreme Science and Engineering Discovery Environment (XSEDE) resources supported by the National Science Foundation. The B-spline R-matrix (BSR) approach has significant advantages over the well-known suite of R-matrix (close-coupling) codes that were developed over the past four decades and are currently used worldwide. Specifically, the numerical properties of a B-spline basis yield high computational accuracy and the ability to employ non-orthogonal sets of term-dependent orbitals allows for compact configuration expansions. After having completed the parallelization of the semi-relativistic version, this project will support the development of a parallel implementation of the fully relativistic Dirac-Coulomb version. The BSR collision codes will also be interfaced with a new suite of general atomic structure codes, which use B-spline expansions directly.
这个项目的目的是继续开发一种完全相对论的计算机代码,用于电子和光子与原子和离子的相互作用。该代码已经用于一些基准计算,以获得对基础研究和实际应用至关重要的高精度原子数据。特别是,该代码正被用于对天体物理和实验室等离子体、激光和行星大气的物理和化学进行建模。计算机代码将通过开放源码许可证和指定的网站向公众提供。本科生将通过开发和测试该程序包的各个模块来接受现代计算方法的培训。这包括在由国家科学基金会支持的极限科学和工程发现环境(XSEDE)资源提供的大规模并行计算平台上运行代码。B-Spline R-矩阵(BSR)方法与在过去40年中开发并目前在世界各地使用的著名的R-矩阵(紧耦合)码套件相比具有显著的优势。具体地说,B样条基的数值特性产生了很高的计算精度,并且使用非正交项相关轨道集的能力允许紧凑的构型展开。在完成半相对论版本的并行化之后,该项目将支持开发完全相对论狄拉克-库仑版本的并行实施。BSR碰撞代码还将与一套新的通用原子结构代码接口,这些代码直接使用B-Spline展开。
项目成果
期刊论文数量(3)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
Pulse-duration dependence of the double-to-single ionization ratio of Ne by intense 780-nm and 800-nm laser fields: Comparison of simulations with experiments
- DOI:10.1103/physreva.99.043408
- 发表时间:2019-04
- 期刊:
- 影响因子:2.9
- 作者:Zhangjin Chen;Lina Zhang;Yali Wang;O. Zatsarinny;K. Bartschat;T. Morishita;C. Lin
- 通讯作者:Zhangjin Chen;Lina Zhang;Yali Wang;O. Zatsarinny;K. Bartschat;T. Morishita;C. Lin
Photoionization of neutral iron from the ground and excited states
中性铁从基态和激发态的光电离
- DOI:
- 发表时间:2019
- 期刊:
- 影响因子:0
- 作者:Zatsarinny O, Bartschat
- 通讯作者:Zatsarinny O, Bartschat
Electron-impact excitation and ionization of atomic calcium at intermediate energies
- DOI:10.1103/physreva.99.012706
- 发表时间:2018-11
- 期刊:
- 影响因子:2.9
- 作者:O. Zatsarinny;H. Parker;K. Bartschat
- 通讯作者:O. Zatsarinny;H. Parker;K. Bartschat
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Oleg Zatsarinny其他文献
Low-energy photodetachment of Ga- and elastic electron scattering from neutral Ga
Ga 的低能光脱离和中性 Ga 的弹性电子散射
- DOI:
10.1103/physreva.94.023402 - 发表时间:
2016 - 期刊:
- 影响因子:2.9
- 作者:
Ke Dong Wang;Oleg Zatsarinny;Klaus Bartschat - 通讯作者:
Klaus Bartschat
4p 2 resonances in photoionization from 4s4p levels in neutral zinc
- DOI:
10.1007/s00214-007-0348-9 - 发表时间:
2007-06-23 - 期刊:
- 影响因子:1.500
- 作者:
Charlotte Froese Fischer;Oleg Zatsarinny - 通讯作者:
Oleg Zatsarinny
Novel method for state selective determination of electron-impact-excitation cross sections from 0° to 180°
- DOI:
10.1140/epjti/s40485-014-0006-2 - 发表时间:
2014-08-07 - 期刊:
- 影响因子:1.900
- 作者:
Marvin Weyland;Xueguang Ren;Thomas Pflüger;Woon Yong Baek;Klaus Bartschat;Oleg Zatsarinny;Dmitry V Fursa;Igor Bray;Hans Rabus;Alexander Dorn - 通讯作者:
Alexander Dorn
A xenon collisional-radiative model applicable to electric propulsion devices: I. Calculations of electron-impact cross sections for xenon ions by the Dirac B-spline R-matrix method
适用于电力推进装置的氙碰撞辐射模型:一、狄拉克B样条R矩阵法计算氙离子电子撞击截面
- DOI:
10.1088/1361-6595/ab3125 - 发表时间:
2019-10 - 期刊:
- 影响因子:3.8
- 作者:
Yang Wang;Yan-Fei Wang;Xi-Ming Zhu;Oleg Zatsarinny;Klaus Bartschat - 通讯作者:
Klaus Bartschat
A xenon collisional-radiative model applicable to electric propulsion devices: II. Kinetics of the 6s, 6p, and 5d states of atoms and ions in Hall thrusters
适用于电力推进装置的氙碰撞辐射模型:II.
- DOI:
10.1088/1361-6595/ab30b7 - 发表时间:
2019-10 - 期刊:
- 影响因子:3.8
- 作者:
Xi-Ming Zhu;Yan-Fei Wang;Yang Wang;Da-Ren Yu;Oleg Zatsarinny;Klaus Bartschat;Tsanko Vaskov Tsankov;Uwe Czarnetzki - 通讯作者:
Uwe Czarnetzki
Oleg Zatsarinny的其他文献
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