Exact distorted-wave approach to multiple-scattering theory for general potentials
| dc.creator | Foulis, D. L. | |
| dc.date | 2008-06-03 | |
| dc.date.accessioned | 2026-07-07T09:42:26Z | |
| dc.date.available | 2026-07-07T09:42:26Z | |
| dc.description | We present a new approach to real-space multiple-scattering theory for molecules and clusters, based on the two-potential (distorted-wave) Lippmann-Schwinger equation formalism. Our approach uses a recently developed form [D. L. Foulis, Phys. Rev. A70, 022706 (2004)], for the partial-wave expansions of the exact time-independent single-particle Green function for a general potential, to solve exactly the scattering problem for the distorting potential. The multiple-scattering problem for the full multicenter molecular potential is then developed along familiar lines, within a partition of space consisting of non-overlapping atomic spheres, but relative to the distorting potential. To achieve this some new general Green-function re-expansion formulas are derived, as well as further developments of our earlier partial-wave expansions. Based on the division of the multicenter molecular potential into the non-singular distorting potential and a remaining singular part we develop explicitly the secular equations of our approach and prove a result concerning the symmetry of the atomic matrices. The new secular equations are similar in overall form to those of related methods, requiring coupled radial Schrödinger-equation solutions for each atomic center, together with atomic-sphere surface integrals, but no volume integrals. We treat both continuum (scattering) states and bound states within the same framework, and consider also the case of an outer sphere. | |
| dc.description | 31 pages, 2 figures, LaTeX (revtex4) | |
| dc.identifier | https://arxiv.org/abs/0806.0574 | |
| dc.identifier | http://arxiv.org/abs/0806.0574 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/162181 | |
| dc.subject | Mathematical Physics | |
| dc.subject | 81U05 | |
| dc.title | Exact distorted-wave approach to multiple-scattering theory for general potentials | |
| dc.type | text |