222 citations · 332 across the 6 of their papers we have counts for
6 papers
Collective dynamics in atomistic models with coupled translational and spin degrees of freedom
Dilina Perera, Don M. Nicholson, Markus Eisenbach +2
Using an atomistic model that simultaneously treats the dynamics of translational and spin degrees of freedom, we perform combined molecular and spin dynamics simulations to invest…
Reinventing atomistic magnetic simulations with spin-orbit coupling
Dilina Perera, Markus Eisenbach, Don M. Nicholson +2
We propose a powerful extension to combined molecular and spin dynamics that fully captures the coupling between the atomic and spin subsystems via spin-orbit interactions. Its fou…
Green's function multiple-scattering theory with a truncated basis set: An Augmented-KKR formalism
Aftab Alam, Suffian N. Khan, Andrei Smirnov +2
Korringa-Kohn-Rostoker (KKR) Green's function, multiple-scattering theory is an efficient site-centered, electronic-structure technique for addressing an assembly of scatterers…
Elementary excitations and crossover phenomenon in liquids
T. Iwashita, D. M. Nicholson, T. Egami
The elementary excitations of vibration in solids are phonons. But in liquids phonons are extremely short-lived and marginalized. In this letter through classical and ab-initio mol…
On a Solution of the Self-Interaction Problem in Kohn-Sham Density Functional Theory
M. Däne, A. Gonis, D. M. Nicholson +1
We report on a methodology for the treatment of the Coulomb energy and potential in Kohn-Sham density functional theory that is free from self-interaction effects. Specifically, we…
Calculation of electronic properties of amorphous alloys
J. C. Swihart, D. M. C. Nicholson, G. M. Stocks +3
We describe the application of the locally-self-consistent-multiple-scattering (LSMS)[1] method to amorphous alloys. The LSMS algorithm is optimized for the Intel XP/S-150, a multi…