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20052023
most citedLandau-Zener type surface hopping algorithms

101 citations · 339 across the 25 of their papers we have counts for

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8 papers · 1 filter

math.NA2023

Variational Gaussian approximation for the magnetic Schrödinger equation

Selina Burkhard, Benjamin Dörich, Marlis Hochbruck +1

In the present paper we consider the semiclassical magnetic Schrödinger equation, which describes the dynamics of particles under the influence of a magnetic field. The solution of…

math.NA2021

An Error Bound for the Time-Sliced Thawed Gaussian Propagation Method

Paul Bergold, Caroline Lasser

We study the time-sliced thawed Gaussian propagation method, which was recently proposed for solving the time-dependent Schrödinger equation. We introduce a triplet of quadrature-b…

math.NA2020

The Gaussian Wave Packet Transform via Quadrature Rules

Paul Bergold, Caroline Lasser

We analyse the Gaussian wave packet transform. Based on the Fourier inversion formula and a partition of unity, which is formed by a collection of Gaussian basis functions, a new r…

math.NA2020★ 93 cited

Computing quantum dynamics in the semiclassical regime

Caroline Lasser, Christian Lubich

The semiclassically scaled time-dependent multi-particle Schrödinger equation describes, inter alia, quantum dynamics of nuclei in a molecule. It poses the combined computational c…

math.NA2016

Discretising the Herman--Kluk Propagator

Caroline Lasser, David Sattlegger

The Herman--Kluk propagator is a popular semi-classical approximation of the unitary evolution operator in quantum molecular dynamics. In this paper we formulate the Herman--Kluk p…

math.NA2016

Symmetric Kronecker products and semiclassical wave packets

George A. Hagedorn, Caroline Lasser

We investigate the iterated Kronecker product of a square matrix with itself and prove an invariance property for symmetric subspaces. This motivates the definition of an iterated…