Excitation of helium Rydberg states and doubly excited resonances in strong extreme ultraviolet fields: Full-dimensional quantum dynamics using exponentially tempered Gaussian basis sets
- J. Heyrovsky Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejškova 3, 182 23 Prague 8 (Czech Republic)
Recently optimized exponentially tempered Gaussian basis sets [P. R. Kapralova-Zdanska and J. Smydke, J. Chem. Phys. 138, 024105 (2013)] are employed in quantitative simulations of helium absorption cross-sections and two-photon excitation yields of doubly excited resonances. Linearly polarized half-infinite and Gaussian laser pulses at wavelengths 38–58 nm and large intensities up to 100 TW/cm{sup 2} are considered. The emphasis is laid on convergence of the results with respect to the quality of the Gaussian basis sets (typically limited by a number of partial waves, density, and spatial extent of the basis functions) as well as to the quality of the basis set of field-free states (typically limited by the maximum rotational quantum number and maximum excitation of the lower electron). Particular attention is paid to stability of the results with respect to varying complex scaling parameter. Moreover, the study of the dynamics is preceded by a thorough check of helium energies and oscillator strengths as they are obtained with the exponentially tempered Gaussian basis sets, being also compared with yet unpublished emission wavelengths measured in electric discharge experiments.
- OSTI ID:
- 22220425
- Journal Information:
- Journal of Chemical Physics, Vol. 139, Issue 10; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
74 ATOMIC AND MOLECULAR PHYSICS
ABSORPTION
CROSS SECTIONS
DENSITY
ELECTRIC DISCHARGES
EMISSION
EXTREME ULTRAVIOLET RADIATION
GAUSS FUNCTION
HELIUM
MULTI-PHOTON PROCESSES
OSCILLATOR STRENGTHS
ROTATIONAL STATES
RYDBERG STATES
SIMULATION
WAVELENGTHS