Electronic stopping from orbital mean excitation energies including both projectile and target electronic structure

Autor: Remigio Cabrera-Trujillo, Jens Oddershede

Publikováno v: Advances in Quantum Chemistry ISBN: 9780323991889

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::5f52a6d769bda7e243fdc89e8cf3dc75
https://doi.org/10.1016/bs.aiq.2022.05.004

Test of the validity of Bragg’s rule for mean excitation energies of small molecules and ions

Autor: Stephan P. A. Sauer, John R. Sabin, Jens Oddershede

Publikováno v: Sauer, S P A, Sabin, J R & Oddershede, J 2019, ' Test of the validity of Bragg's rule for mean excitation energies of small molecules and ions ', Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms, vol. 444, no. April, pp. 112-116 . https://doi.org/10.1016/j.nimb.2019.02.019

The purpose of this paper is to identify the fragmentation patterns of molecules and ions that give the best fulfilment of a Bragg’s rule estimation of the mean excitation energy of the molecules and ions. We investigate the effect of chemical bind

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::15e6fd5014c519e3460b90be72e1d99a
https://doi.org/10.1016/j.nimb.2019.02.019

On the relationship between bond correction factors and elemental mean excitation energies

Autor: Stephan P. A. Sauer, Jens Oddershede, John R. Sabin

Publikováno v: Sauer, S P A, Sabin, J R & Oddershede, J 2020, ' On the relationship between bond correction factors and elemental mean excitation energies ', Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, vol. 474, pp. 6-9 . https://doi.org/10.1016/j.nimb.2020.04.021
Sauer, S P A, Sabin, J R & Oddershede, J 2020, ' On the relationship between bond correction factors and elemental mean excitation energies ', Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms, vol. 474, pp. 6-9 . https://doi.org/10.1016/j.nimb.2020.04.021

We have investigated the relationship between two methods to obtain mean excitation energies of large samples using a modified Bragg rule, one method using Bragg’s rule to determine elemental mean excitation energies from experimental stopping powe

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f11d5878a1e8198a01389120f2ef313d
https://curis.ku.dk/ws/files/240105586/Preprint.pdf

Bound and continuum state contributions to dipole oscillator strength sum rules:Total and orbital mean excitation energies for cations of C, F, Si, and Cl

Autor: Jens Oddershede, John R. Sabin, Stephan P. A. Sauer, Remigio Cabrera-Trujillo

Publikováno v: Cabrera-Trujillo, R, Sauer, S P A, Sabin, J R & Oddershede, J 2019, Bound and continuum state contributions to dipole oscillator strength sum rules : Total and orbital mean excitation energies for cations of C, F, Si, and Cl . in J R Sabin & J Oddershede (eds), Advances in Quantum Chemistry : Rufus Ritchie, A Gentleman and A Scholar . vol. 80, Academic Press, Advances in Quantum Chemistry, pp. 127-146 . https://doi.org/10.1016/bs.aiq.2019.06.002

We present dipole oscillator strength-dependent properties such as sum rules, dipole polarizability, mean excitation energy, and stopping cross section as a function of the ionic charge of C, F, Si, and Cl atoms. The excitation spectra and the dipole

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::912b51ee33dd7aa389d2a092219a2042
https://portal.findresearcher.sdu.dk/da/publications/6f854996-0f50-43bc-9dfd-9b57cdf2a211

Calculation of mean excitation energies

Autor: Stephan P. A. Sauer, Jens Oddershede, John R. Sabin

Publikováno v: Sauer, S P A, Sabin, J R & Oddershede, J 2019, Calculation of mean excitation energies . in J R Sabin & J Oddershede (eds), Advances in Quantum Chemistry . Academic Press, Advances in Quantum Chemistry, pp. 225-245 . https://doi.org/10.1016/bs.aiq.2019.06.003

We present a review of calculations of mean excitation energies of small molecules, atoms and their ions using the Random-Phase Approximation. We discuss the relationship with other calculations and we propose several simple rules that may be used to

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d62ddf5afae096628dbc0731f5907a09
https://doi.org/10.1016/bs.aiq.2019.06.003