ACCURATE COMPUTATION OF THE ENERGY-SPECTRUM FOR POTENTIALS WITH MULTIMINIMA


TASELI H.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, cilt.46, ss.319-334, 1993 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 46 Konu: 2
  • Basım Tarihi: 1993
  • Doi Numarası: 10.1002/qua.560460207
  • Dergi Adı: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
  • Sayfa Sayıları: ss.319-334

Özet

The eigenvalues of the Schrodinger equation with a polynomial potential are calculated accurately by means of the Rayleigh-Ritz variational method and a basis set of functions satisfying Dirichlet boundary conditions. The method is applied to the well potentials having one, two, and three minima. It is shown, in the entire range of coupling constants, that the basis set of trigonometric functions has the capability of yielding the energy spectra of unbounded problems without any loss of convergence providing that the boundary value alpha remains greater than a critical value alpha(cr). Only the computation of the nearly degenerate states of multiwell oscillators requires dealing with a relatively large truncation order.