Comparison of Two Efficient Methods for Calculating Partition Functions
文献类型：期刊论文
| 作者 | Gong, Le-Cheng1,2; Ning, Bo-Yuan3; Weng, Tsu-Chien3,4; Ning, Xi-Jing1,2 |
| 刊名 | ENTROPY
 |
| 出版日期 | 2019-11-01 |
| 卷号 | 21期号:11页码:9 |
| 关键词 | partition function statistical physics molecular dynamics simulations |
| DOI | 10.3390/e21111050 |
| 通讯作者 | Ning, Xi-Jing(xjning@fudan.edu.cn) |
| 英文摘要 | In the long-time pursuit of the solution to calculating the partition function (or free energy) of condensed matter, Monte-Carlo-based nested sampling should be the state-of-the-art method, and very recently, we established a direct integral approach that works at least four orders faster. In present work, the above two methods were applied to solid argon at temperatures up to 300 K. The derived internal energy and pressure were compared with the molecular dynamics simulation as well as experimental measurements, showing that the calculation precision of our approach is about 10 times higher than that of the nested sampling method. |
| WOS关键词 | PHASE-TRANSITIONS ; FREE-ENERGY ; SIMULATIONS ; DENSITY ; PRESSURE ; ALGORITHM |
| 资助项目 | National Natural Science Foundation of China[21727801] |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000502145000023 |
| 出版者 | MDPI |
| 资助机构 | National Natural Science Foundation of China |
| 源URL | [http://119.78.100.186/handle/113462/141339]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Ning, Xi-Jing |
| 作者单位 | 1.Fudan Univ, Inst Modern Phys, Shanghai 200433, Peoples R China 2.Fudan Univ, Appl Ion Beam Phys Lab, Shanghai 200433, Peoples R China 3.Ctr High Pressure Sci & Technol Adv Res, Shanghai 202103, Peoples R China 4.ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 201210, Peoples R China |
| 推荐引用方式 GB/T 7714 | Gong, Le-Cheng,Ning, Bo-Yuan,Weng, Tsu-Chien,et al. Comparison of Two Efficient Methods for Calculating Partition Functions[J]. ENTROPY,2019,21(11):9. |
| APA | Gong, Le-Cheng,Ning, Bo-Yuan,Weng, Tsu-Chien,&Ning, Xi-Jing.(2019).Comparison of Two Efficient Methods for Calculating Partition Functions.ENTROPY,21(11),9. |
| MLA | Gong, Le-Cheng,et al."Comparison of Two Efficient Methods for Calculating Partition Functions".ENTROPY 21.11(2019):9. |
入库方式： OAI收割
来源：近代物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。