Angular dependence of strong field ionization of water
The availability of short, intense laser pulses has opened up new
possibilities for chemistry. Attosecond laser pulses
can directly explore electron dynamics, image molecular orbitals and probe bond
making and breaking processes. Intense femtosecond laser pulses can act as
photonic reagents by altering the dynamics of molecules on potential energy
surfaces. The response of molecules to short, intense laser pulses cannot be
treated by the perturbative methods used for ordinary spectroscopy. Direct
simulations of electronic and nuclear dynamics are needed to understand the
behavior of molecules under these extreme conditions. With support from the National Science
Foundation, we are simulated angular dependence of strong field ionization of
polyatomic molecules. In a collaboration with Prof. Wen Li at WSU supported by the
Department of Energy, we are studying the isomerization and fragmentation of
molecules in intense mid-IR laser fields by ab initio molecular dynamics.
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Thapa, B; Schlegel, H. B.; Molecular
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c.
Krause,
P.; Schlegel, H. B.; Strong field ionization rates of linear polyenes simulated
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d.
Krause, P; Schlegel, H. B. Angle-dependent ionization of small
molecules by time-dependent configuration interaction and an absorbing
potential. J. Phys. Chem. Lett. 2015, 6, 2140-46 (10.1021/acs.jpclett.5b00929).