Projector augmented-wave method
An approach for electronic structure calculations is described that generalizes both the pseudopotential method and the linear augmented-plane-wave (LAPW) method in a natural wa...
Publications
View AllChannel coding with multilevel/phase signals
A coding technique is described which improves error performance of synchronous data links without sacrificing data rate or requiring more bandwidth. This is achieved by channel...
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations
CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular, and biological systems. I...
The Chemical Structure of a Molecule Resolved by Atomic Force Microscopy
Atomic Imaging Within Adsorbed Molecules Scanning tunneling microscopy provides atomic resolution images of surfaces and adsorbed atoms, but imaging atoms within an organic mole...
Surface phonons and dipole activity of Si(111)2×1 from<i>ab</i><i>initio</i>calculations
We present a first-principles linear-response study of the phonon spectrum and dipole activity of the Si(111)2 x 1 surface. Our results are in good agreement with the experiment...
Affiliated Researchers
Institution Info
- Type
- facility
- Country
- CH
- Publications
- 5
- Citations
- 94,060
External Links
Identifiers
- ROR
- https://ror.org/02js37d36