Journal
CHEMICAL PHYSICS
Volume 414, Issue -, Pages 112-120Publisher
ELSEVIER
DOI: 10.1016/j.chemphys.2012.03.012
Keywords
Attosecond pulses; Double ionization; Beryllium atom; Time-dependent Schrodinger equation
Funding
- MICINN [FIS2010-15127, ACI2008-0777, CSD 2007-00010]
- ERA-Chemistry Project [PIM2010EEC-00751]
- European grant MC-ITN CORINF
- European grant MC-RG ATTOTREND
- European COST Action [CM0702]
- Advanced Grant of the European Research Council XCHEM [290853]
- US DOE [DE-AC02-05CH11231]
- US DOE Office of Basic Energy Sciences, Division of Chemical Sciences
- Subprograma Extesp-MICINN Modalidad
- Juan de la Cierva contract grant from MICINN
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A time-dependent formalism for treating double ionization of atomic targets with core electrons is presented. It relies on the solution of the time-dependent Schrodinger equation with a combined orbital and grid-based representation of the time-evolving wave packet. Total and differential double ionization probabilities and cross sections are then obtained through a exterior complex scaling implementation. The method is demonstrated for single-photon double ionization of the valence electrons of beryllium atom using 500 attosecond pulsed lasers, with the inner-shell electrons held fixed in the frozen-core orbitals. The extracted cross sections are compared to existing experimental and time-independent theoretical results. The accuracy of the formalism is demonstrated in furtherance of investigation of physical processes induced by ultrashort pulses in multielectron atoms that cannot be achieved in a time-independent framework. (c) 2012 Elsevier B.V. All rights reserved.
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