At home in the universe

Einstein–Bohr recoiling double-slit gedanken experiment performed at the molecular level

Repulsive Interaction Potentials between Rare-Gas Atoms. Heteronuclear Two-Center Systems

A theoretical expression, previously applied only to homonuclear pairs of rare-gas atoms, has been used to calculate the interaction energies $U(R)$ for the corresponding hetero...

Quantum computing and single-qubit measurements using the spin-filter effect (invited)

Many things will have to go right for quantum computation to become a reality in the lab. For any of the presently proposed approaches involving spin states in solids, an essent...

Recombination and photoluminescence mechanism in hydrogenated amorphous carbon

The luminescence mechanism in a-C:H is described as a modification of the band tail luminescence in hydrogenated amorphous Si. The tail states of a-C:H are formed from clusters ...

Basis-set-free local density-functional calculations of geometries of polyatomic molecules

Geometries of 61 small, neutral, singlet-ground-state molecules have been calculated using the local spin-density approximation (LSDA) density-functional theory. The computation...