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

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.

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Document Details

Document Type
Technical Report
Publication Date
Nov 15, 1961
Accession Number
AD0276405

Entities

People

  • W. R. Jarmain

Organizations

  • Air Force Office of Scientific Research

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Contracts
  • Diatomic Molecules
  • Differential Equations
  • Digital Computers
  • Eigenvalues
  • Equations
  • Government Procurement
  • Governments
  • Intervals
  • Morse Potential
  • Numerical Analysis
  • Partial Differential Equations
  • Schrodinger Equation
  • Transitions
  • Universities
  • Wave Equations
  • Wave Functions

Fields of Study

  • Mathematics
  • Physics

Readers

  • Calculus or Mathematical Analysis
  • Molecular Photonics/Laser Physics