Accession Number:

AD0276405

Title:

TRANSITION PROBABILITIES OF MOLECULAR BAND SYSTEMS. XXI: NUMERICAL SOLUTION OF THE SCHRODINGER WAVE EQUATION

Descriptive Note:

Corporate Author:

AIR FORCE OFFICE OF SCIENTIFIC RESEARCH BOLLING AFB DC

Personal Author(s):

• JARMAIN, W. R.

Report Date:

1961-11-15

Pagination or Media Count:

16.0

Abstract:

Tests are made of the Runge-Kutta and especially Numerov methods of solving the reduced Schrodinger wave equation for a tabulated Morse potential. This is preliminary to numerical solution of the equation for a Klein-Dunham potential. Normalized wave functions given at an interval of 0.01A in internuclear separation, agree closely with those obtained analytically. A criterion for goodness of wave functions generated numerically, depending on observed rotational constants, is described.

Descriptors:

• *MOLECULES
• *NUMERICAL METHODS AND PROCEDURES
• ELECTROMAGNETIC RADIATION
• ELECTRON TRANSITIONS
• GROUPS(MATHEMATICS)
• PROBABILITY
• QUANTUM THEORY

Subject Categories:

• Numerical Mathematics
• Atomic and Molecular Physics and Spectroscopy

Distribution Statement:

APPROVED FOR PUBLIC RELEASE