dc.contributor.author | Marante, Carlos | |
dc.contributor.author | Argenti, Luca | |
dc.contributor.author | Martín García, Fernando | |
dc.contributor.other | UAM. Departamento de Química | es_ES |
dc.date.accessioned | 2017-10-11T09:11:43Z | |
dc.date.available | 2017-10-11T09:11:43Z | |
dc.date.issued | 2014-07-08 | |
dc.identifier.citation | Physical Review A - Atomic, Molecular, and Optical Physics 90.1 (2014): 012506 | en_US |
dc.identifier.issn | 1050-2947 (print) | es_ES |
dc.identifier.issn | 1094-1622 (online) | es_ES |
dc.identifier.uri | http://hdl.handle.net/10486/679778 | |
dc.description.abstract | As a first step towards meeting the recent demand for new computational tools capable of reproducing molecular-ionization continua in a wide energy range, we introduce a hybrid Gaussian-B-spline basis (GABS) that combines short-range Gaussian functions, compatible with standard quantum-chemistry computational codes, with B splines, a basis appropriate to represent electronic continua. We illustrate the performance of the GABS hybrid basis for the hydrogen atom by solving both the time-independent and the time-dependent Schrödinger equation for a few representative cases. The results are in excellent agreement with those obtained with a purely B-spline basis, with analytical results, when available, and with recent above-threshold ionization spectra from the literature. In the latter case, we report fully differential photoelectron distributions which offer further insight into the process of above-threshold ionization at different wavelengths | en_US |
dc.description.sponsorship | Work supported by the European Research Council under the European Union’s Seventh Framework Programme (FP7/2007-2013)/ERC Grant Agreement No. 290853, European COST Action No. CM1204 XLIC, and MICINN Project No. FIS2010-15127 | en_US |
dc.format.extent | 20 p. | en |
dc.format.mimetype | application/pdf | en |
dc.language.iso | eng | en |
dc.publisher | American Physical Society | en_US |
dc.relation.ispartof | Physical Review A - Atomic, Molecular, and Optical Physics | en_US |
dc.rights | © 2014 American Physical Society | en_US |
dc.subject.other | Hybrid Gaussian | en_US |
dc.subject.other | Photoionization | en_US |
dc.title | Hybrid Gaussian-B-spline basis for the electronic continuum: Photoionization of atomic hydrogen | en_US |
dc.type | article | en |
dc.subject.eciencia | Química | es_ES |
dc.relation.publisherversion | http://dx.doi.org/10.1103/PhysRevA.90.012506 | es_ES |
dc.identifier.doi | 10.1103/PhysRevA.90.012506 | es_ES |
dc.identifier.publicationfirstpage | 012506 | es_ES |
dc.identifier.publicationissue | 1 | es_ES |
dc.identifier.publicationlastpage | 012506 | es_ES |
dc.identifier.publicationvolume | 90 | es_ES |
dc.relation.projectID | Gobierno de España. FIS2010-15127 | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/EC/FP7/290853 | es_ES |
dc.type.version | info:eu-repo/semantics/publishedVersion | en |
dc.rights.accessRights | openAccess | en |
dc.facultadUAM | Facultad de Ciencias | |