Calculating electronic stop** power in materials from first principles

AA Correa - Computational Materials Science, 2018‏ - Elsevier
From the early models of electronic stop** power to the current first principles simulations,
the techniques evolved to increase the range of validity and to reduce empiricism. Thanks to …

Electron dynamics in extended systems within real-time time-dependent density-functional theory

A Kononov, CW Lee, TP dos Santos, B Robinson… - MRS …, 2022‏ - Springer
Due to a beneficial balance of computational cost and accuracy, real-time time-dependent
density-functional theory has emerged as a promising first-principles framework to describe …

Time-linear quantum transport simulations with correlated nonequilibrium green's functions

R Tuovinen, Y Pavlyukh, E Perfetto, B Gu, B Cunningham, D Muñoz Santiburcio… - The Journal of …, 2020‏ - pubs.aip.org
Knowledge of the electronic stop** curve for swift ions, S e (v), particularly around the
Bragg peak, is important for understanding radiation damage. Experimentally, however, the …