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タイトル: | Open Quantum Dynamics Theory for Non-Equilibrium Work: Hierarchical Equations of Motion Approach |
著者: | Sakamoto, Souichi Tanimura, Yoshitaka https://orcid.org/0000-0002-7913-054X (unconfirmed) |
著者名の別形: | 坂本, 想一 谷村, 吉隆 |
発行日: | 15-Mar-2021 |
出版者: | Physical Society of Japan |
誌名: | Journal of the Physical Society of Japan |
巻: | 90 |
号: | 3 |
論文番号: | 033001 |
抄録: | A system–bath (SB) model is considered to examine the Jarzynski equality in the fully quantum regime. In our previous paper [J. Chem. Phys. 153, 234107 (2020)], we carried out “exact” numerical experiments using hierarchical equations of motion (HEOM) in which we demonstrated that the SB model describes behavior that is consistent with the first and second laws of thermodynamics and that the dynamics of the total system are time irreversible. The distinctive quantity in the Jarzynski equality is the “work characteristic function (WCF)”, 〈exp[−βW]〉, where W is the work performed on the system and β is the inverse temperature. In the present investigation, we consider the definitions based on the partition function (PF) and on the path, and numerically evaluate the WCF using the HEOM to determine a method for extending the Jarzynski equality to the fully quantum regime. We show that using the PF-based definition of the WCF, we obtain a result that is entirely inconsistent with the Jarzynski equality, while if we use the path-based definition, we obtain a result that approximates the Jarzynski equality, but may not be consistent with it. |
著作権等: | ©2021 The Author(s) This article is published by the Physical Society of Japan under the terms of the Creative Commons Attribution 4.0 License. Any further distribution of this work must maintain attribution to the author(s) and the title of the article, journal citation, and DOI. |
URI: | http://hdl.handle.net/2433/276657 |
DOI(出版社版): | 10.7566/jpsj.90.033001 |
出現コレクション: | 学術雑誌掲載論文等 |
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