We have studied the quantum dynamics of proton transfer in the hydrogen-bonded complex HaOf-Ha0 using a previously computed three-dimensional potential energy surface. The two coordinates considered are the distance of the hydrogen atom from the O-O midpoint and the O-O distance, for a linear O-H-O
✦ LIBER ✦
Nonlinear coupling in the quantum statistical theory of proton transfer dynamics
✍ Scribed by P. Baňacký; A. Zajac
- Publisher
- John Wiley and Sons
- Year
- 1990
- Tongue
- English
- Weight
- 272 KB
- Volume
- 38
- Category
- Article
- ISSN
- 0020-7608
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✦ Synopsis
Abstract
The possible role of the nonlinear coupling on the character of the dynamics of particle transfer process is investigated. The analysis and solutions of the kinetic equation indicate that nonlinear coupling causes symmetry breaking of particle transfer potential and determines possible equilibrium structure of the system. Dissipative coupling characterizes the rate of the system to reach thermodynamic equilibrium and along with nonlinear coupling and parameters of the system determines in a unique way the resulting equilibrium structure of the system.
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