TRANSITION PROBABILITIES OF MOLECULAR BAND SYSTEMS. XXI: NUMERICAL SOLUTION OF THE SCHRODINGER WAVE EQUATION
AIR FORCE OFFICE OF SCIENTIFIC RESEARCH BOLLING AFB DC
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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.
- Numerical Mathematics
- Atomic and Molecular Physics and Spectroscopy