一维时变Schr\ odinger解的数值方法比较。

H. Gharibnejad, B. Schneider, M. Leadingham, H. J. Schmale
{"title":"一维时变Schr\\ odinger解的数值方法比较。","authors":"H. Gharibnejad, B. Schneider, M. Leadingham, H. J. Schmale","doi":"10.1002/HTTPS://DOI.ORG/10.1016/J.CPC.2019.05.019","DOIUrl":null,"url":null,"abstract":"We examine the performance of various time propagation schemes using a one-dimensional model of the hydrogen atom. In this model the exact Coulomb potential is replaced by a soft-core interaction. The model has been shown to be a reasonable representation of what occurs in the fully three-dimensional hydrogen atom. Our results show that while many numerically simple (low order) propagation schemes work, they often require quite small time-steps. Comparing them against more accurate methods, which may require more work per time-step but allow much larger time-steps, can be illuminating. We show that at least in this problem, the compute time for a number of the more accurate methods is actually less than lower order schemes. Finally, we make some remarks on what to expect in generalizing our findings to more than one dimension.","PeriodicalId":8424,"journal":{"name":"arXiv: Computational Physics","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2018-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Comparison of Numerical Approaches to the Time-Dependent Schr\\\\\\\"odinger Solutions in One Dimension.\",\"authors\":\"H. Gharibnejad, B. Schneider, M. Leadingham, H. J. Schmale\",\"doi\":\"10.1002/HTTPS://DOI.ORG/10.1016/J.CPC.2019.05.019\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"We examine the performance of various time propagation schemes using a one-dimensional model of the hydrogen atom. In this model the exact Coulomb potential is replaced by a soft-core interaction. The model has been shown to be a reasonable representation of what occurs in the fully three-dimensional hydrogen atom. Our results show that while many numerically simple (low order) propagation schemes work, they often require quite small time-steps. Comparing them against more accurate methods, which may require more work per time-step but allow much larger time-steps, can be illuminating. We show that at least in this problem, the compute time for a number of the more accurate methods is actually less than lower order schemes. Finally, we make some remarks on what to expect in generalizing our findings to more than one dimension.\",\"PeriodicalId\":8424,\"journal\":{\"name\":\"arXiv: Computational Physics\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2018-09-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"arXiv: Computational Physics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1002/HTTPS://DOI.ORG/10.1016/J.CPC.2019.05.019\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"arXiv: Computational Physics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1002/HTTPS://DOI.ORG/10.1016/J.CPC.2019.05.019","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

摘要

我们使用氢原子的一维模型来检验各种时间传播方案的性能。在这个模型中,精确的库仑势被软核相互作用所取代。该模型已被证明是完全三维氢原子中所发生的情况的合理表示。我们的结果表明,虽然许多数值上简单的(低阶)传播方案有效,但它们通常需要相当小的时间步长。将它们与更精确的方法(每个时间步可能需要更多的工作,但允许更大的时间步)进行比较,可能具有启发性。我们表明,至少在这个问题中,许多更精确的方法的计算时间实际上比低阶方案要少。最后,我们对将我们的发现推广到一个以上维度的期望作了一些评论。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Comparison of Numerical Approaches to the Time-Dependent Schr\"odinger Solutions in One Dimension.
We examine the performance of various time propagation schemes using a one-dimensional model of the hydrogen atom. In this model the exact Coulomb potential is replaced by a soft-core interaction. The model has been shown to be a reasonable representation of what occurs in the fully three-dimensional hydrogen atom. Our results show that while many numerically simple (low order) propagation schemes work, they often require quite small time-steps. Comparing them against more accurate methods, which may require more work per time-step but allow much larger time-steps, can be illuminating. We show that at least in this problem, the compute time for a number of the more accurate methods is actually less than lower order schemes. Finally, we make some remarks on what to expect in generalizing our findings to more than one dimension.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
自引率
0.00%
发文量
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信