抄録
The derivation of an integral equation for rigid-body molecules was done with respect to site-density distribution function under arbitrary external fields using the density-functional theory. The original Percus idea was extended to molecular fluids using a grand canonical partition function of molecular systems. The site-density integral equation in combination with the extended Percus relation to molecular fluids gave a closure relation of reference interaction site model equation.
| 本文言語 | English |
|---|---|
| ページ（範囲） | 6653-6662 |
| ページ数 | 10 |
| ジャーナル | Journal of Chemical Physics |
| 巻 | 115 |
| 号 | 14 |
| DOI | |
| 出版ステータス | Published - 10月 8 2001 |
| 外部発表 | はい |
ASJC Scopus subject areas
- 物理学および天文学（全般）
- 物理化学および理論化学