Week 12
Speaker: Evgueni Dinvay
Title: Heat semigroup representation of time evolution in quantum systems
Abstract: We discuss the discretization of the Laplace operator, a key component in modeling kinetic energy in quantum systems. I present an efficient approximation of the second-order derivative derived from the fundamental solution of the heat equation. The proposed multiwavelet-based Laplacian approximation is tested through two fundamental applications in quantum chemistry: self-consistent field calculations and the time evolution of Schrödinger-type equations.
The talk is based on: https://arxiv.org/abs/2501.08820