[HTML][HTML] The discrete Green's function method for wave packet expansion via the free Schrödinger equation
We consider the expansion of wave packets governed by the free Schrödinger equation.
This seemingly simple task plays an important role in simulations of various quantum …
This seemingly simple task plays an important role in simulations of various quantum …
Adaptive absorbing boundary layer for the nonlinear Schrödinger equation
HP Stimming, X Wen, NJ Mauser - Computational Methods in …, 2024 - degruyter.com
We present an adaptive absorbing boundary layer technique for the nonlinear Schrödinger
equation that is used in combination with the Time-splitting Fourier spectral method (TSSP) …
equation that is used in combination with the Time-splitting Fourier spectral method (TSSP) …
Computing photoionization spectra in Gaussian basis sets
I Duchemin, A Levitt - The Journal of Chemical Physics, 2023 - pubs.aip.org
We present a method to compute the photoionization spectra of atoms and molecules in
linear-response, time-dependent density functional theory. The electronic orbital variations …
linear-response, time-dependent density functional theory. The electronic orbital variations …