Prague, 28 June 2017
Recent advances in the application of the Schwinger multichannel method with pseudopotentials to electron-molecule collisions
1 Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-170 Santo André, São Paulo, Brazil
2 Instituto de Física, Universidade de São Paulo, Caixa Postal 66318, 05315-970 São Paulo, São Paulo, Brazil
3 Departamento de Física, Universidade Federal do Paraná, Caixa Postal 19044, 81531-990 Curitiba, Paraná, Brazil
4 Instituto de Física “Gleb Wataghin”, Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo, Brazil
Received: 20 March 2015
Received in final form: 8 May 2015
Published online: 18 June 2015
The Schwinger multichannel method [K. Takatsuka and V. McKoy, Phys. Rev. A 30, 1734 (1984)], which is based on the Schwinger variational principle for the scattering amplitude [J. Schwinger, Phys. Rev. 72, 742 (1947)], was designed to account for exchange, polarization and electronically multichannel coupling effects in the low-energy region of electron scattering from molecules with arbitrary geometry. The applications of the method became more ambitious with the availability of computer power combined with parallel processing, use of norm-conserving pseudopotentials and improvement of the description of target excited states (minimal orbital basis for single configuration interaction). The most recent applications involving 33 and 45 electronically open channels for phenol and ethylene molecules, represent good examples of the present status of the method. In this colloquium, we review the strategy and point out new directions to apply the method in its full extension.
Key words: Colloquium
© The Author(s) 2015. This article is published with open access at Springerlink.com
This is an open access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.