Nonadditivity effect in the molecular interaction of H{sub 2}O and CH{sub 4} trimers by the symmetry-adapted perturbation theory
Conference
·
OSTI ID:171908
- Waseda Univ., Tokyo (Japan)
- Takachiho Univ., Tokyo (Japan)
The three-body nonadditivity effect has a significant role for various physically important properties. However, since the nonadditivity effect is much smaller than two-body additivity one, its detection is quite difficult. In recent work, the authors have presented the formulas of nonadditivity contribution to the three-body interaction energy in terms of the symmetry-adapted perturbation theory with the Hartree-Fock approximation in Longuet-Higgins representation of the molecular charge distributions. The authors present the results of numerical calculation for the cyclic planar H{sub 2}O trimer as a polar system and CH{sub 4} trimer as a nonpolar system.
- OSTI ID:
- 171908
- Report Number(s):
- CONF-9411143--
- Country of Publication:
- United States
- Language:
- English
Similar Records
Ab initio study of the nonadditive effects in the trimer of ammonia
Nonadditive intermolecular forces from the spectroscopy of van der Waals trimers: A theoretical study of Ar[sub 2]-HF
Lowest quartet states of heteronuclear alkali-metal trimers
Journal Article
·
Tue Oct 01 00:00:00 EDT 1991
· Journal of Chemical Physics; (United States)
·
OSTI ID:5254208
Nonadditive intermolecular forces from the spectroscopy of van der Waals trimers: A theoretical study of Ar[sub 2]-HF
Journal Article
·
Sat Dec 31 23:00:00 EST 1994
· Physical Review A; (United States)
·
OSTI ID:6713828
Lowest quartet states of heteronuclear alkali-metal trimers
Journal Article
·
Wed Sep 15 00:00:00 EDT 2010
· Physical Review. A
·
OSTI ID:21450668