The authors review available experimental information on the existence, thermodynamic
stability and physical properties of hydrides formed by the absorption of hydrogen gas in …

We develop the embedded-atom method [Phys. Rev. Lett. 50, 1285 (1983)], based on
density-functional theory, as a new means of calculating ground-state properties of realistic …

While spin-orbit effects have been recognized in interpreting magnetic properties of
molecules con-taining heavy atoms, more elaborate calculations are required to establish …

The present article focusses on the chemosorptive and physisorptive behavior of hydrogen
interacting with solid surfaces. Depending on the electronic structure of the solid hydrogen …

Hydrogen energy is a zero-carbon replacement for fossil fuels. However, hydrogen is highly
flammable and explosive hence timely sensitive leak detection is crucial. Existing optical …

Publisher Summary This chapter provides a summary of the relativistic calculations on
multielectron or multicenter problems. The Dirac–Fock Hamiltonian and the main quantum …

Hydrogen is stored atomically in metal hydrides. Dissociative chemisorption and associative
desorption are therefore important steps in the hydrogen absorption and desorption …

During the oil embargo, in the winter 1973174, parts of Western Europe present ed an
almost war-like aspect on Saturdays and Sundays: no traffic on the high ways, no crowds at …

Self‐consistent‐field X‐Alpha scattered‐wave cluster molecular‐orbital models have been
constructed for transition and noble metals (Fe, Ni, Cu, and Ag) in contact with a sapphire …

The electronic properties of H chemisorbed on the Pd (111) surface are studied with the use
of angle-resolved photoelectron spectroscopy and a self-consistent pseudopotential mixed …