52 citations · 166 across the 9 of their papers we have counts for
9 papers
Electronic Structure of Dangling Bonds in Amorphous Silicon Studied via a Density-Matrix Functional Method
R. G. Hennig, P. A. Fedders, A. E. Carlsson
A structural model of hydrogenated amorphous silicon containing an isolated dangling bond is used to investigate the effects of electron interactions on the electronic level splitt…
Structure of the icosahedral Ti-Zr-Ni quasicrystal
R. G. Hennig, K. F. Kelton, A. E. Carlsson +1
The atomic structure of the icosahedral Ti-Zr-Ni quasicrystal is determined by invoking similarities to periodic crystalline phases, diffraction data and the results from ab initio…
The Functional Form of Angular Forces around Transition Metal Ions in Biomolecules
A. E. Carlsson, S. Zapata
A method for generating angular forces around -bonded transition metal ions is generalized to treat -bonded configurations. The theoretical approach is based on an analysis o…
The Force-Velocity Relation for Growing Biopolymers
A. E. Carlsson
The process of force generation by the growth of biopolymers is simulated via a Langevin-dynamics approach. The interaction forces are taken to have simple forms that favor the gro…
Angular Forces Around Transition Metals in Biomolecules
A. E. Carlsson
Quantum-mechanical analysis based on an exact sum rule is used to extract an semiclassical angle-dependent energy function for transition metal ions in biomolecules. The angular de…
The influence of surface stress on dislocation emission from sharp and blunt cracks in f.c.c. metals
J. Schiotz, A. E. Carlsson
We use computer simulations to study the behavior of atomically sharp and blunted cracks in various f.c.c. metals. The simulations use effective medium potentials which contain man…