Hybrid Gaussian-B-spline basis for the electronic continuum: Photoionization of atomic hydrogen
Entidad
UAM. Departamento de QuímicaEditor
American Physical SocietyFecha de edición
2014-07-08Cita
10.1103/PhysRevA.90.012506
Physical Review A - Atomic, Molecular, and Optical Physics 90.1 (2014): 012506
ISSN
1050-2947 (print); 1094-1622 (online)DOI
10.1103/PhysRevA.90.012506Financiado por
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. FIS2010-15127Proyecto
Gobierno de España. FIS2010-15127; info:eu-repo/grantAgreement/EC/FP7/290853Versión del editor
http://dx.doi.org/10.1103/PhysRevA.90.012506Materias
Hybrid Gaussian; Photoionization; QuímicaDerechos
© 2014 American Physical SocietyResumen
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
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Google Scholar:Marante, Carlos
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Argenti, Luca
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Martín García, Fernando
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