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An efficient spectral method for numerical time-dependent perturbation theory
Cyrille Lavigne1, Paul Brumer1
1Chemical Physics Theory Group, Department of Chemistry, and Center for Quantum Information and Quantum Control, University of Toronto, Toronto, Ontario M5S 3H6, Canada.
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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