English

An efficient spectral method for numerical time-dependent perturbation theory

Chemical Physics 2020-04-21 v1 Computational Physics

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 nn-dimensional frequency integrals of the nn-th order perturbative expansion are evaluated numerically using tensor products. The NN points discretized integrals are computed in O(N2)O(N^2) operations, a significant improvement over the O(Nn)O(N^n) scaling of standard quadrature methods.

Keywords

Cite

@article{arxiv.1907.07734,
  title  = {An efficient spectral method for numerical time-dependent perturbation theory},
  author = {Cyrille Lavigne and Paul Brumer},
  journal= {arXiv preprint arXiv:1907.07734},
  year   = {2020}
}
R2 v1 2026-06-23T10:23:38.797Z