Tiresia: A code for molecular electronic continuum states and photoionization

It is based on an expansion of the required solution in a local multicentric basis set, with primitive functions built as products of a radial B-spline times a real spherical harmonic.

In conjunction with Density Functional Theory (DFT), it has been extensively employed in a large variety of photoionization studies, also for rather large systems. Highly excited bound states as well as wavepacket propagation can also be accurately described. In fact, the flexibility of the basis essentially allows accurate solutions of linear operator equations, like Poisson or inhomogeneous perturbative equations, which are employed in the code.