Trajectory sampling and finite-size effects in first-principles stop** power calculations
Real-time time-dependent density functional theory (TDDFT) is presently the most accurate
available method for computing electronic stop** powers from first principles. However …
available method for computing electronic stop** powers from first principles. However …
Use of Gaussian-Type Functions for Describing Fast Ion-Matter Irradiation with Time-Dependent Density Functional Theory
The electronic stop** power is an observable property that quantifies the ability of swift
ions to penetrate matter to transfer energy to the electron cloud. The recent literature has …
ions to penetrate matter to transfer energy to the electron cloud. The recent literature has …
[HTML][HTML] Efficient computational modeling of electronic stop** power of organic polymers for proton therapy optimization
This comprehensive study delves into the intricate interplay between protons and organic
polymers, offering insights into proton therapy in cancer treatment. Focusing on the influence …
polymers, offering insights into proton therapy in cancer treatment. Focusing on the influence …
The contribution of inner electron excitation to the electronic stop** power of palladium for protons
WQ **, F Mao, SM Li, WQ Zuo, RD Chen… - Physical Chemistry …, 2023 - pubs.rsc.org
The electronic stop** power of palladium (Pd) for protons is investigated based on time-
dependent density functional theory combined with Ehrenfest molecular dynamics …
dependent density functional theory combined with Ehrenfest molecular dynamics …
[HTML][HTML] Reproducibility of real-time time-dependent density functional theory calculations of electronic stop** power in warm dense matter
Real-time time-dependent density functional theory (TDDFT) is widely considered to be the
most accurate available method for calculating electronic stop** powers from first …
most accurate available method for calculating electronic stop** powers from first …
The mystery of sub-picosecond charge transfer following irradiation of hydrated uridine monophosphate
The early mechanisms by which ionizing rays damage biological structures by so-called
direct effects are largely elusive. In a recent picosecond pulse radiolysis study of …
direct effects are largely elusive. In a recent picosecond pulse radiolysis study of …
Local electronic excitations induced by low-velocity light ion stop** in tungsten
Accurately predicting the electronic energy deposition of ions in materials is an important
challenge in both fundamental and applied research. While employing ab initio simulations …
challenge in both fundamental and applied research. While employing ab initio simulations …
[HTML][HTML] Bragg's additivity rule and core and bond model studied by real-time TDDFT electronic stop** simulations: The case of water vapor
The electronic stop** power (S e) of water vapor (H 2 O), hydrogen (H 2) and oxygen (O 2)
gases for protons in a broad range of energies, centered in the Bragg peak, was calculated …
gases for protons in a broad range of energies, centered in the Bragg peak, was calculated …
Nonlinear electronic stop** of negatively charged particles in liquid water
We present real-time time-dependent density-functional-theory calculations of the electronic
stop** power for negative and positive projectiles (electrons, protons, antiprotons, and …
stop** power for negative and positive projectiles (electrons, protons, antiprotons, and …
Modeling of Proton Interaction with Organic Polymers: Implications for Cancer Therapy and Beyond
This comprehensive study delves into the intricate interplay between protons and organic
polymers, offering insights into proton therapy in cancer treatment. Focusing on the influence …
polymers, offering insights into proton therapy in cancer treatment. Focusing on the influence …