General Time-Dependent Configuration-Interaction Singles I: The Molecular Case

Abstract

We present a grid-based implementation of the time-dependent configuration-interaction singles method suitable for computing the strong-field ionization of small gas-phase molecules. After outlining the general equations of motion used in our treatment of this method, we present example calculations of strong-field ionization of helium, lithium hydride, water, and ethylene that demonstrate the utility of our implementation. The following companion paper specializes to the case of spherical symmetry, which is applied to various atoms.

References in corpus (4)

• Ab-initio angle and energy resolved photoelectron spectroscopy with time-dependent density-functional theory
• Time-dependent multiconfiguration self-consistent-field method based on occupation restricted multiple active space model for multielectron dynamics in intense laser fields
• General Time-Dependent Configuration-Interaction Singles II: The Atomic Case
• Relativistic time-dependent configuration-interaction singles

Cited by in corpus (4)

• General Time-Dependent Configuration-Interaction Singles II: The Atomic Case
• Simulating real-time molecular electron dynamics efficiently using the time-dependent density matrix renormalization group
• Control of Spin Polarization through Recollisions
• Rydberg Atomic Antenna in Strongly Driven Multi-Electron Atoms