A new method for calculating angular integrals in electron-atom scattering

Authors
Citation
Vm. Burke, A new method for calculating angular integrals in electron-atom scattering, COMP PHYS C, 114(1-3), 1998, pp. 210-224
Citations number
14
Categorie Soggetti
Physics
Journal title
COMPUTER PHYSICS COMMUNICATIONS
ISSN journal
00104655 → ACNP
Volume
114
Issue
1-3
Year of publication
1998
Pages
210 - 224
Database
ISI
SICI code
0010-4655(199811)114:1-3<210:ANMFCA>2.0.ZU;2-S
Abstract
This paper reports a novel method for calculating certain angular integrals that occur in the matrix elements of the Hamiltonian which describes the s cattering of an electron by a complex atom or ion. Specifically the method applies to those matrix elements which involve the quadratically integrable terms, the so-called bound-bound and bound-continuum matrix elements. It c onsiderably reduces the number of integrals which need to be calculated giv ing an appreciable speed-up in the calculation for low values of the total orbital angular momentum. The application of the method to a data decomposi tion parallelization scheme for the construction of the Hamiltonian matrix is discussed. (C) 1998 Elsevier Science B.V.