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A general variational approach for computing the rovibrational dynamics ofpolyatomic molecules in the presence of external electric fields is presented.Highly accurate, full-dimensional variational calculations provide a basis offield-free rovibrational states for evaluating the rovibrational matrixelements of high-rank Cartesian tensor operators, and for solving thetime-dependent Schr\"odinger equation. The effect of the external electricfield is treated as a multipole moment expansion truncated at the secondhyperpolarizability interaction term. Our fully numerical and computationallyefficient method has been implemented in a new program, RichMol, which cansimulate the effects of multiple external fields of arbitrary strength,polarization, pulse shape and duration. Illustrative calculations of two-colororientation and rotational excitation with an optical centrifuge of NH$_3$ arediscussed.

RichMol: A general variational approach for rovibrational molecular dynamics in external electric fields