SOME APPLICATIONS OF COMPUTER ALGEBRA TO THE STUDY OF DIATOMIC SYSTEMS

Applications of computer algebra to solve accurately some present prob lems chosen as examples in Molecular Physics are presented. By use of the algebric programming system REDUCE on an IBM computer 3090/600 [CC IN2P3-Lyon] refined values for the vibration-rotation levels of diatom ic molecules taking into account further interaction terms have been o btained formulas for calculating asymptotic exchange interaction energ y between atoms in open d, f, ... valence shells have been derived num erical test calculations have been performed with a very large precisi on when solving exactly the hydrogenic problem in a half space.