Additions to the class of symmetric-antisymmetric multiwavelets: derivation and use as quantum basis functions.
Multiwavelet bases have been shown recently to apply to a variety of quantum problems. There are, however, only a few multiwavelet families that have been defined to date. Chui-Lian-type symmetric and antisymmetric multiwavelets are derived here that equal and exceed the polynomial interpolating power of previously available examples. Adaptations to domain edges are made with a view to use in curvilinear coordinate molecular calculations. The new highest-order multiwavelet family is shown to provide uniformly better performance for (i) basis representation of terms such as 1r(2) in near approach to the singularity at r=0 and (ii) eigenvalue calculation of a bending Hamiltonian taken from a curvilinear model of the ground-state vibrations of nitrosyl chloride.
Massey
Daniel W
DW
Department of Chemistry, Rice Quantum Institute and Laboratory for Nanophotonics, Rice University, Houston, TX 77005, USA.
Acevedo
Ramiro
R
Johnson
Bruce R
BR