We found a match
Your institution may have rights to this item. Sign in to continue.
- Title
A Mathematical Theory for Vibrational Levels Associated with Hydrogen Bonds I: The Symmetric Case.
- Authors
Hagedorn, George; Joye, Alain
- Abstract
We propose an alternative to the usual time–independentBorn–Oppenheimer approximation that is specifically designed todescribe molecules with symmetrical Hydrogen bonds. In our approach,the masses of the Hydrogen nuclei are scaled differently from thoseof the heavier nuclei, and we employ a specialized form for theelectron energy level surface. Consequently, anharmonic effects playa role in the leading order calculations of vibrational levels. Although we develop a general theory, our analysis is motivated byan examination of symmetric bihalide ions, such as FHF − or ClHCl −. We describe our approach for the FHF − ion in detail.
- Subjects
HYDROGEN bonding; MOLECULES; PROTONS; IONS; ELECTRONS
- Publication
Communications in Mathematical Physics, 2007, Vol 274, Issue 3, p691
- ISSN
0010-3616
- Publication type
Article
- DOI
10.1007/s00220-007-0292-5