Numerical application of a variational technique in quantum mechanics

The work presented in this thesis concerns the application of methods based on the one-electron Green's integral operator to certain quantum mechanical wave equations associated in particular with atomic and molecular systems. Estimates of eigenvalues and wavefunctions for such systems are computed by means of variational functionals based on this operator. In the case of molecular systems, the major difficulty is that of evaluating the resulting integrals. In the early part of the thesis, this problem is discussed in some detail with particular reference to the H+2 molecular ion. [Continues.]