3 papers
math.NA2026
Structure-Preserving Integration for Magnetic Gaussian Wave Packet Dynamics
Sebastian Merk, Caroline Lasser
We develop structure-preserving time integration schemes for Gaussian wave packet dynamics associated with the magnetic Schrödinger equation. The variational Dirac--Frenkel formula…
physics.chem-ph2025
Vibronic spectra at nonzero temperatures from Herman-Kluk coherence thermofield dynamics
Fabian Kröninger, Caroline Lasser, Jiří J. L. Vaníček
We combine the semiclassical Herman--Kluk approximation with the coherence thermofield dynamics in order to evaluate vibrationally resolved electronic spectra at nonzero temperatur…
math.NA2025
Time-integration of Gaussian variational approximation for the magnetic Schrödinger equation
Malik Scheifinger, Kurt Busch, Marlis Hochbruck +1
In the present paper we consider the semiclassical magnetic Schrödinger equation, which describes the dynamics of charged particles under the influence of a electro-magnetic field.…