[HTML][HTML] Toward first principles-based simulations of dense hydrogen
Accurate knowledge of the properties of hydrogen at high compression is crucial for
astrophysics (eg, planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) …
astrophysics (eg, planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) …
First principles simulations of dense hydrogen
M Bonitz, J Vorberger, M Bethkenhagen… - ar**-a-time-dependent-variational-approach-with-momentum-jump-trajectories.pdf" data-clk="hl=en&sa=T&oi=gga&ct=gga&cd=6&d=1111539194321733942&ei=2KylZ8PYEtmlieoPu4PawQQ" data-clk-atid="Nol4DwL7bA8J" target="_blank">[PDF] chemrxiv.org
Multiconfigurational Surface Hop**: a Time-Dependent Variational Approach with Momentum-Jump Trajectories
G Li, Z Shi, L Huang, L Wang - Journal of Chemical Theory and …, 2024 - ACS Publications
The Ehrenfest mean field dynamics and trajectory surface hop** have been widely used
in nonadiabatic dynamics simulations. Based on the time-dependent variational principle …
in nonadiabatic dynamics simulations. Based on the time-dependent variational principle …
Multidimensional quantum dynamics with explicitly correlated Gaussian wave packets using Rothe's method
In a previous publication [SE Schrader et al., J. Chem. Phys. 161, 044105 (2024)], it has
been shown that Rothe's method can be used to solve the time-dependent Schrödinger …
been shown that Rothe's method can be used to solve the time-dependent Schrödinger …
On the Cauchy problem for the Hartree approximation in quantum dynamics
R Carles, CF Kammerer, C Lasser - Nonlinearity, 2023 - iopscience.iop.org
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 …
arising in quantum dynamics. The Hartree equations of motion form a coupled system of …
Modelling and simulating excitation-energy transfer in light-harvesting antennae: a nonadiabatic perspective
J Galiana - 2024 - theses.hal.science
Light-harvesting (LH) molecular antennae are known for their ability to absorb light in the UV-
visible domain via their chromophores and to transfer the associated excitation energy down …
visible domain via their chromophores and to transfer the associated excitation energy down …