G Jordan and A Scrinzi 2008 New J. Phys. 10 025035 doi:10.1088/1367-2630/10/2/025035
Core-polarization effects in molecular high harmonic generation
Focus on Attosecond PhysicsG Jordan and A Scrinzi1
Show affiliationsPart of Focus on Attosecond Physics
By comparing three-dimensional multi-electron calculations with several simplifying models, we show that polarization of the molecular ion can crucially contribute to the high harmonic spectra of molecules. We solve the time-dependent Schrödinger equation for diatomic model molecules with up to 4 active electrons using the multi-configuration time-dependent Hartree–Fock method. Single electron models fail to reproduce the harmonic spectra as they do not account for polarization of the multi-electron ionic core by the laser field. We find the dominant mechanism in the modification of the recombination dipole matrix element, while ionization is only mildly affected.
- PACS
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31.15.xr Self-consistent-field methods
42.65.Ky Frequency conversion; harmonic generation, including higher-order harmonic generation
- Subjects
- Dates
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Issue 2 (February 2008)
Received 17 October 2007
Published 29 February 2008
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Core-polarization effects in molecular high harmonic generation
G Jordan and A Scrinzi 2008 New J. Phys. 10 025035
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