  We introduce one-center method in spherical coordinates to carry out
Hartree-Fock calculations. Both the radial wave function and the angular wave
function are expanded by B-splines, and the radial knots and angular knots are
adjusted to deal with cusps properly, resulting in the significant improvement
of convergence for several typical closed-shell diatomic molecules. B-splines
could represent both the bound state and continuum state wave function
properly, and the present approach has been applied to investigating ionization
dynamics for H$_2$ in the intense laser field adopting single-active-electron
model.
