Performance of Made Simple Meta-GGA Functionals with rVV10 Nonlocal Correlation for H2 + Cu(111), D2 + Ag(111), H2 + Au(111), and D2 + Pt(111)

Nanoporous Materials for Hydrogen Storage and H2/D2 Isotope Separation

.................................................................................................................................................. 8 Zusammenfassung ................................................................................................................................ 11 1. General Introduction ...............................................................................

Dissociative electron attachment cross sections for H2 and D2.

New measurements of the absolute cross sections for dissociative electron attachment (DEA) in molecular hydrogen and deuterium are presented which resolve previous ambiguities and provide a test bed for theory. The experimental methodology is based upon a momentum imaging time-of-flight spectrometer that allowed us to eliminate any contributions due to electronically excited metastable neutrals...

Quantum Sieving of H2 and D2 in Fe-MOF-74

Two-Libron Spectrum of Solid H2 and D2

It is shown that the "two-libron" lines in the Raman spectrum of solid hydrogen result from the large cubic anharmonicity of the quadrupole-quadrupole Hamiltonian. A localized picture is used to describe the interaction of two librational excitations on neighboring molecules, and dynamic interactions with other molecules are treated perturbatively. In this approximation the average single-libro...

Electron Compton-like quasielastic scattering from H2, D2, and HD.

A significant anomaly in the ratio of the cross sections for quasielastic scattering of D(2) to H(2) in a 50:50 mixture has been reported recently [Phys. Rev. Lett. 100, 043204 (2008)]. In particular, the interpretation of quasielastic scattering provided in that work predicts that the signals should be based on the elemental content and not on the molecular structure, and thus the spectrum for...