Accession Number:

ADA151765

Title:

Computer Modeling of Vibrational Energy Levels of Potential Laser Candidates (Diatomic Molecules).

Descriptive Note:

Master's thesis,

Corporate Author:

AIR FORCE INST OF TECH WRIGHT-PATTERSON AFB OH SCHOOL OF ENGINEERING

Personal Author(s):

• Ostdiek,P. H.

Report Date:

1984-12-01

Pagination or Media Count:

198.0

Abstract:

This thesis developed a finite element solution of the Schrodinger wave equation. This technique is used by a computer program to calculate the energy levels and wave functions of a diatomic molecular for a particular potential energy model. The potential energy model is a function of a set of parameters which a non-linear minimization routine varies before solving the wave equation. This is done in an iterative manner until the calculated energy levels agree in a least squares sense with the observed energy levels. Then the transition probabilities Franck-Condon factors between the wave functions are calculated by another program developed for this thesis. Finally, two programs were written to determine the energy levels observed in spectroscopic data. One uses Dunham coefficients and the Dunham equation while the second uses a least square fit to the data directly. The four programs were tested and appear to work correctly. The numeric solutions were compared with the analytic solutions of the single harmonic oscillator. Originator-supplied keywords include Franck-Condon factors, Diatomic molecules, Molecular vibration, Schrodinger equation, and Numerical analysis.

Descriptors:

• *COMPUTERIZED SIMULATION
• *MOLECULAR VIBRATION
• *DIATOMIC MOLECULES
• *MOLECULAR ENERGY LEVELS
• COMPUTER PROGRAMS
• SPECTROSCOPY
• FINITE ELEMENT ANALYSIS
• PROBABILITY
• THESES
• LASERS
• POTENTIAL ENERGY
• WAVE FUNCTIONS
• SCHRODINGER EQUATION

Subject Categories:

• Lasers and Masers
• Statistics and Probability
• Nuclear Physics and Elementary Particle Physics

Distribution Statement:

APPROVED FOR PUBLIC RELEASE