A unified thermostat scheme for efficient configurational sampling for classical/quantum canonical e

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：w313829237

【摘要】

：

　　We show a unified second-order scheme for constructing simple,robust and accurate algorithms for typical thermostats for configurational sampling for the ca

【作者】

：

Zhijun Zhang Xinzijian Liu Zifei Chen Haifeng Zheng Kangyu Yan Jian Liu

【机构】

：

Beijing National Laboratory for Molecular Sciences,Institute of Theoretical and Computational Chemis

【出处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年期

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　　We show a unified second-order scheme for constructing simple,robust and accurate algorithms for typical thermostats for configurational sampling for the canonical ensemble.

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