There is no manifold of states denser than the electronic ionization continuum, and describing continuum states is becoming increasingly important in electronic dynamics. The natural timescale for electronic dynamics is the attosecond timescale, and laser systems that probe this timescale are increasing in number and capability. The broad bandwidths of attosecond pulses necessarily lead to ionization of the targets under consideration, as do the short wavelengths of x-ray pulses, which can initiate site-specific dynamics. Traditional quantum chemistry treats ionization at low levels of sophistication or not at all, and newly developed dynamics methods implemented in gaussian basis sets can also treat ionization only at great expense or significant approximation. Grid methods, on the other hand, while much slower than gaussians, are systematically convergable and can describe ionizing states. I will discuss some new developments in grid dynamics and scattering calculations for molecules. I will also present applications of these methods to ionizing processes, including quantum control of chiro-optical effects.

Correlated electronic dynamics including ionization: Grid methods and continuum states

2019 Spring National Meeting

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