| Literature DB >> 24116559 |
Gustavo Avila1, Tucker Carrington.
Abstract
In this paper, we present a new collocation method for solving the Schroedinger equation. Collocation has the advantage that it obviates integrals. All previous collocation methods have, however, the crucial disadvantage that they require solving a generalized eigenvalue problem. By combining Lagrange-like functions with a Smolyak interpolant, we device a collocation method that does not require solving a generalized eigenvalue problem. We exploit the structure of the grid to develop an efficient algorithm for evaluating the matrix-vector products required to compute energy levels and wavefunctions. Energies systematically converge as the number of points and basis functions are increased.Year: 2013 PMID: 24116559 DOI: 10.1063/1.4821348
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488