globalchange  > 气候变化与战略
DOI: 10.1073/pnas.1913365116
论文题名:
Path integral molecular dynamics for bosons
作者: Hirshberg B.; Rizzi V.; Parrinello M.
刊名: Proceedings of the National Academy of Sciences of the United States of America
ISSN: 0027-8424
出版年: 2019
卷: 116, 期:43
起始页码: 21445
结束页码: 21449
语种: 英语
英文关键词: Bosons ; Cold atoms ; Molecular dynamics ; Path integrals
Scopus关键词: polymer ; algorithm ; Article ; boson ; density ; energy ; force ; molecular dynamics ; path integral molecular dynamics ; priority journal ; temperature
英文摘要: Trapped bosons exhibit fundamental physical phenomena and are at the core of emerging quantum technologies. We present a method for simulating bosons using path integral molecular dynamics. The main difficulty in performing such simulations is enumerating all ring-polymer configurations, which arise due to permutations of identical particles. We show that the potential and forces at each time step can be evaluated by using a recurrence relation which avoids enumerating all permutations, while providing the correct thermal expectation values. The resulting algorithm scales cubically with system size. The method is tested and applied to bosons in a 2-dimensional (2D) trap and agrees with analytical results and numerical diagonalization of the many-body Hamiltonian. An analysis of the role of exchange effects at different temperatures, through the relative probability of different ring-polymer configurations, is also presented. © 2019 National Academy of Sciences. All rights reserved.
Citation statistics:
资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/163521
Appears in Collections:气候变化与战略

Files in This Item:

There are no files associated with this item.


作者单位: Hirshberg, B., Department of Chemistry and Applied Biosciences, ETH Zurich, Zurich, 8092, Switzerland, Institute of Computational Sciences, Università della Svizzera Italiana, Lugano, 6900, Switzerland; Rizzi, V., Department of Chemistry and Applied Biosciences, ETH Zurich, Zurich, 8092, Switzerland, Institute of Computational Sciences, Università della Svizzera Italiana, Lugano, 6900, Switzerland; Parrinello, M., Department of Chemistry and Applied Biosciences, ETH Zurich, Zurich, 8092, Switzerland, Institute of Computational Sciences, Università della Svizzera Italiana, Lugano, 6900, Switzerland, Atomistic Simulations, Italian Institute of Technology, Genova, 16163, Italy

Recommended Citation:
Hirshberg B.,Rizzi V.,Parrinello M.. Path integral molecular dynamics for bosons[J]. Proceedings of the National Academy of Sciences of the United States of America,2019-01-01,116(43)
Service
Recommend this item
Sava as my favorate item
Show this item's statistics
Export Endnote File
Google Scholar
Similar articles in Google Scholar
[Hirshberg B.]'s Articles
[Rizzi V.]'s Articles
[Parrinello M.]'s Articles
百度学术
Similar articles in Baidu Scholar
[Hirshberg B.]'s Articles
[Rizzi V.]'s Articles
[Parrinello M.]'s Articles
CSDL cross search
Similar articles in CSDL Cross Search
[Hirshberg B.]‘s Articles
[Rizzi V.]‘s Articles
[Parrinello M.]‘s Articles
Related Copyright Policies
Null
收藏/分享
所有评论 (0)
暂无评论
 

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.