Document Type
Report
Source Publication Title
Technical Report 271
Abstract
A numerical simulation of the vibration of a ground state H2 molecule is made from a quasi-quantum mechanical point of view, that is, energy has been determined by quantum mechanics and trajectories determined by Newtonian mechanics. The numerical method used is implicit and conserves the energy exactly at each time step. A variety of CRAY X-MP/SE14 calculations are described and discussed. Comparisons are made with correct oscillation and diameter values.
Disciplines
Mathematics | Physical Sciences and Mathematics
Publication Date
6-1-1990
Language
English
License
This work is licensed under a Creative Commons Attribution-NonCommercial-Share Alike 4.0 International License.
Recommended Citation
Greenspan, Donald, "On the Error in Quasi-Quantum Mechanical Calculations" (1990). Mathematics Technical Papers. 118.
https://mavmatrix.uta.edu/math_technicalpapers/118