activity
20052023
most citedLandau-Zener type surface hopping algorithms

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

collaborators

30 papers

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.AP2023

Asymptotic initial value representation of the solutions of semi-classical systems presenting smooth codimension one crossings

Clotilde Fermanian Kammerer, Caroline Lasser, Didier Robert

This paper is devoted to the construction of approximations of the propagator associated with a semi-classical matrix-valued Schrödinger operator with symbol presenting smooth eige…

quant-ph2022★ 3 cited

Sampling strategies for the Herman-Kluk propagator of the wavefunction

Fabian Kröninger, Caroline Lasser, Jiří Vaníček

When the semiclassical Herman-Kluk propagator is used for evaluating quantum-mechanical observables or time-correlation functions, the initial conditions for the guiding trajectori…

math.AP2022

On the Cauchy problem for the Hartree approximation in quantum dynamics

Rémi Carles, Clotilde Fermanian Kammerer, Caroline Lasser

We prove existence and uniqueness results for the time-dependent Hartree approximation arising in quantum dynamics. The Hartree equations of motion form a coupled system of nonline…

quant-ph2022★ 2 cited

No need for a grid: Adaptive fully-flexible gaussians for the time-dependent Schrödinger equation

Simen Kvaal, Caroline Lasser, Thomas Bondo Pedersen +1

Linear combinations of complex gaussian functions, where the linear and nonlinear parameters are allowed to vary, are shown to provide an extremely flexible and effective approach…

physics.chem-ph2022★ 9 cited

Laser-induced dynamic alignment of the HD molecule without the Born-Oppenheimer approximation

Ludwik Adamowicz, Simen Kvaal, Caroline Lasser +1

Laser-induced molecular alignment is well understood within the framework of the Born-Oppenheimer (BO) approximation Without the BO approximation, however, the concept of molecular…