Many-body and quantum effects in the radial distribution function of liquid neon and argon
✍ Scribed by Elena Ermakova; Jan Solca; Hanspeter Huber; Dominik Marx
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 477 KB
- Volume
- 246
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
Most simulations of liquids are performed in the framework of classical mechanics and the approximation of additivity of pair potentials. Besides errors due to the approximate pair potential, this leads to errors due to quantum effects and the neglect of many-body interactions. By calculating the radial distribution function from pure theory for liquid neon and argon with a quantum effective Wigner-Kirkwood potential and comparison with experiments, it is shown that quantum effects are sizeable for liquid neon at lower temperatures, whereas many-body effects are negligible.
📜 SIMILAR VOLUMES
Molecular dynamics simulations of extended simple point charge (SPC/E) water have been performed to study the effects of the truncation of long-range interactions on some calculated bulk properties of the liquid. The mean potential calculated in liquid water is sensitive to the choice of the cutoff