相关实验视频

Updated: May 27, 2025

Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level
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Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level

Published on: September 26, 2016

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扩散量子蒙特卡洛方法在范德瓦尔斯系统与单个斯莱特-贾斯托试验波函数解离曲线上的准确性

Zhiru Huang1, Xiaojun Zhou2, Fan Wang1

  • 1Institute of Atomic and Molecular Physics, Key Laboratory of High Energy Density Physics and Technology, Ministry of Education, Sichuan University, Chengdu, 610065, People's Republic of China. wangf44@gmail.com.

Physical chemistry chemical physics : PCCP
|February 17, 2025
PubMed
概括

准确计算范德瓦尔斯 (vdW) 相互作用至关重要. 扩散量子蒙特卡洛 (DMC) 方法准确地计算了吸引力和排斥力非平衡距离的vdW电位,性能优于MP2和CCSD方法.

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