Spherical potential energy function from second virial coefficient using Tikhonov regularization and truncated singular value decomposition

The inverse problem to determine the potential energy surface from the second virial coefficient data, involves the solution of a discrete ill-posed problem. The Tikhonov regularization and the truncated singular value decomposition methods, which are appropriated to handle ill-conditioning linear system, were applied in this work to obtain the potential energy surface for an atom-atom short range interaction from second virial coefficient.