THE HARMONIC-OSCILLATOR TENSOR APPROACH TO THE EIGENSPECTRA OF MULTIPLE-WELL MOLECULAR POTENTIALS - I - NONPERIODIC POTENTIALS

Using an irreducible tensor technique, we have derived matrix elements for the non-periodical vibrational operators q(k), q(k)e(lambda n) an d q(k)e(lambda q2) in the basis of the non-degenerate harmonic oscilla tor wave functions. The matrix elements are simple and computationally easy to evaluate which makes the method suitable for variational stud ies of multiple-well potentials. (C) 1998 Elsevier Science B.V. All ri ghts reserved.