Energy levels and wave functions of weakly-bound He-4(x) (NeyH)-Ne-20 (x+y=2) systems using Pekeris coordinates and a symmetry-adapted Lanczos approach

摘要

Energy levels and wave functions of floppy triatomic rare gas hydrides are calculated using a Pekeris coordinate system and the importance of various triangular configurations is assessed through the calculation of reduced distribution functions and relative weights. The calculations are performed using a symmetry-adapted Lanczos recursion within the discrete variable representation. For the (He2H-)-He-4 anion, the present results are compared with those obtained from calculations based on other methods, and the accuracy of the present method is discussed. Calculations are also performed for the case of (He2H)-He-4 and (Ne2H)-Ne-20, as well as for the mixed He-4 (NeH)-Ne-20 neutrals. Our results show that no bound states are found for (He2H)-He-4 while only one bound state is found for both the (Ne2H)-Ne-20 and He-4 (NeH)-Ne-20 complexes. Interestingly, a very important and common property of these systems is that there is a significant contribution from linear configurations to their bound states. (C) 2004 American Institute of Physics.