Chemical Physics Letters, Vol.524, 96-99, 2012
Computing polarizabilities without a Hamiltonian matrix
Using techniques of numerical linear algebra it is possible to calculate polarizabilities and hyperpolarizabilities without computing or storing a Hamiltonian matrix. This is done by exploiting the structure of the basis to evaluate matrix-vector products. The ideas are tested on a one dimensional Hubbard model. (C) 2011 Elsevier B. V. All rights reserved.