An efficient spectral method for numerical time-dependent perturbation theory

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Abstract

We develop the Fourier-Laplace Inversion of the Perturbation Theory (FLIPT), a novel numerically exact "black box" method to compute perturbative expansions of the density matrix with rigorous convergence conditions. Specifically, the FLIPT method is extremely well-suited to simulate multiphoton pulsed laser experiments with complex pulse shapes. The n-dimensional frequency integrals of the nth order perturbative expansion are evaluated numerically using tensor products. The N-point discretized integrals are computed in O(N2) operations, a significant improvement over the O(Nn) scaling of standard quadrature methods.

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Lavigne, C., & Brumer, P. (2019). An efficient spectral method for numerical time-dependent perturbation theory. Journal of Chemical Physics, 151(14). https://doi.org/10.1063/1.5121722

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