Webpages tagged with «Gaussians»

Simon Elias Schrader, Håkon Emil Kristiansen, Thomas Bondo Pedersen, and Simen Kvaal demonstrate that Rothe’s method can be applied in conjunction with mean-field theories such as time-dependent density-functional theory to correctly simulate strong-field processes using time-dependent Gaussian basis functions.

In a new paper, it is demonstrated that superpositions of Gaussian wave packets can be propagated in a numerically stable manner, providing highly accurate results for the quantum dynamics of molecular systems driven by extreme laser pulses.

Demonstrating that multidimensional explicitly correlated Gaussian wave packets can be used to capture complicated quantum dynamics, a new paper by Schrader, Pedersen, and Kvaal brings us a significant step closer to the long-standing goal of reliable simulations of intense-laser-induced molecular dynamics on the attosecond time scale without invoking the Born-Oppenheimer approximation.

The Hylleraas Centre made a generous contribution with eight talks on a broad range of research topics at the Annual Meeting of the Quantum and Computational Chemistry Chapter of the Norwegian Chemical Society.

In a new paper published in The Journal of Chemical Physics, Hylleraas members present a highly adaptive computational method for solving the time-dependent Schrödinger equation of a hydrogenic electron exposed to strong laser fields.

Hylleraas members presented their recent work on laser-driven atomic and molecular quantum dynamics. 

Published as part of the Journal of Physical Chemistry A Virtual Special Issue “Attosecond Chemistry”, this paper by Hylleraas members  investigates the feasibility of using fully flexible explicitly correlated Gaussians for simulating laser-induced attosecond processes without the Born-Oppenheimer approximation.