Jc. Morrison et al., SPLINE COLLOCATION CALCULATION FOR H-2(+), Journal of physics. B, Atomic molecular and optical physics, 29(12), 1996, pp. 2375-2391
A basis of Hermite splines is used in conjunction with the collocation
method to obtain accurate solutions of the Schrodinger equation for H
-2(+). The spectral transform variation of the Lanczos method is found
to be the most suitable method for solving the matrix eigenvalue prob
lem, while the preconditioned conjugate gradient method is very effect
ive for solving the systems of linear equations necessary to evaluate
the matrix-vector products that occur for each Lanczos iteration. The
lowest eigenvalue is obtained to more than six significant figures wit
hout taking advantage of the separability of the orbital equations.