Molecular resolvent-operator method: Electronic and nuclear dynamics in strong-field ionization
EntityUAM. Departamento de Química
PublisherAmerican Physical Society
10.1103/PhysRevA.89.023415Physical Review A - Atomic, Molecular, and Optical Physics 89.2 (2014): 023415
ISSN1050-2947 (print); 1094-1622 (online)
Funded byThis work was accomplished with an allocation of computer time from Mare Nostrum BSC and CCC-UAM and was partially supported by the MICINN Projects No. FIS2010- 15127 and No. CSD 2007-00010, ERA-Chemistry Project No. PIM2010EEC-00751, the European grants No. MC-ITN CORINF and No. MC-RG ATTOTREND, the European COST Action No. CM0702, and European Research Council Advanced Grant No. XCHEM 290853. R.E.F.S. acknowledges a Ph.D. contract from ITN CORINF and Grant No. SFRH/BD/84053/2012 from the Portuguese government. P.R. acknowledges a Juan de la Cierva contract grant from the Spanish MICINN
ProjectGobierno de España. FIS2010- 15127; Gobierno de España. CSD 2007-00010; Gobierno de España. PIM2010EEC-00751; info:eu-repo/grantAgreement/EC/FP7/264951; info:eu-repo/grantAgreement/EC/FP7/268284
Rights© 2014 American Physical Society
We present an extension of the resolvent-operator method (ROM), originally designed for atomic systems, to extract differential photoelectron spectra (in photoelectron- and nuclear-kinetic energy) for diatomic molecules interacting with strong, ultrashort laser fields in the single active electron approximation. The method is applied to the study of H2+ photodissociation and photoionization by femtosecond laser pulses in the XUV-IR frequency range. In particular, the method is tested (i) in the perturbative regime, for few-photon absorption and bound-bound electronic transitions, and (ii) in the strong-field regime, in which multiphoton absorption and tunneling are present. In the latter case, we show how the differential ROM allows one to track the transition between both regimes. We also analyze isotopic effects by comparing the dynamics of H2+ and D2+ ionization for different pulses. © 2014 American Physical Society.
Google Scholar:Catoire, F. - Silva, R. E.F. - Rivière, Paula - Bachau, H. - Martín García, Fernando
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