Implementation of harmonically mapped averaging in LAMMPS, and effect of potential truncation on anharmonic properties

Implementation of harmonically mapped averaging in LAMMPS, and effect of potential truncation on anharmonic properties
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LAMMPS 中谐波映射平均的实现以及势截断对非谐波特性的影响

DOI:
10.1063/1.5129942
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发表时间:
2020
期刊:
The Journal of Chemical Physics
影响因子:
--
通讯作者:
Kofke, David A.
Kofke, David A.
中科院分区:
--
文献类型:
--
作者:
Purohit, Apoorva;Schultz, Andrew J.;Kofke, David A.

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