100 Years of the Lennard-Jones Potential

被引：16

作者：

Schwerdtfeger, Peter ^{[1
]}

Wales, David J. ^{[2
]}

机构：

[1] Massey Univ Auckland, New Zealand Inst Adv Study, Ctr Theoret Chem & Phys, Auckland 0745, New Zealand

[2] Univ Cambridge, Yusuf Hamied Dept Chem, Cambridge CB2 1EW, England

来源：

JOURNAL OF CHEMICAL THEORY AND COMPUTATION | 2024年 / 20卷 / 09期

关键词：

EQUATION-OF-STATE; MOLECULAR-DYNAMICS SIMULATIONS; MONTE-CARLO SIMULATIONS; CHAOTIC REACTION PATHS; FREE-ENERGY LANDSCAPE; MODE-COUPLING THEORY; SURFACE FREE-ENERGY; RARE-GAS CLUSTERS; THERMODYNAMIC PROPERTIES; ARGON CLUSTERS;

D O I：

10.1021/acs.jctc.4c00135

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

It is now 100 years since Lennard-Jones published his first paper introducing the now famous potential that bears his name. It is therefore timely to reflect on the many achievements, as well as the limitations, of this potential in the theory of atomic and molecular interactions, where applications range from descriptions of intermolecular forces to molecules, clusters, and condensed matter.

引用

页码：3379 / 3405

页数：27

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