Document Type
Report
Source Publication Title
Technical Report 293
Abstract
A semiclassical model of the water molecule is formulated in ground state as an eleven-body problem. The stiff system of dynamical, nonlinear, ordinary differential equations is solved numerically on a CRAY YMP supercomputer. An energy conservative, implicit numerical method is used in order to assure invariance of the ground state energy. From selected initial data, the results of three examples, each run for 12 billion time steps, are shown to be entirely consistent with experimental bond angle measurements.
Disciplines
Mathematics | Physical Sciences and Mathematics
Publication Date
1-1-1993
Language
English
License
This work is licensed under a Creative Commons Attribution-NonCommercial-Share Alike 4.0 International License.
Recommended Citation
Greenspan, Donald, "Computer Studies of a Semiclassical Model of the Water Molecule" (1993). Mathematics Technical Papers. 235.
https://mavmatrix.uta.edu/math_technicalpapers/235