Proton Wave Functions in Palladium Studied by Ab Initio Calculations and Inelastic Neutron Scattering Methods

[1]  Ross,et al.  Inelastic neutron scattering measurements and Ab initio calculations of hydrogen in single-crystal palladium , 2000, Physical review letters.

[2]  A. Kolesnikov,et al.  Strong anisotropy in the inelastic neutron scattering from PdH at high energy transfer , 1998 .

[3]  C. Chan,et al.  First-principles pseudopotential calculations for hydrogen in 4d transition metals. II. Vibrational states for interstitial hydrogen isotopes , 1992 .

[4]  K. Ho,et al.  First-principles pseudopotential calculations for hydrogen in 4d transition metals. I. Mixed-basis method for total energies and forces , 1992 .

[5]  Chan,et al.  Vibrational states for hydrogen in palladium. , 1991, Physical review. B, Condensed matter.

[6]  Zhu,et al.  Investigation of the electronic structure and phonon anharmonicity in beta - and gamma -NbH. , 1986, Physical review. B, Condensed matter.

[7]  P. Fratzl,et al.  Interatomic Potentials and Lattice Distortions in PdD0.8* , 1985 .

[8]  J. M. Rowe,et al.  Direct determination of the anharmonic vibrational potential for H in Pd , 1984 .

[9]  K. Ho,et al.  First-principles investigation of metal-hydrogen interactions in NbH , 1984 .

[10]  D. Ross,et al.  The use of Monte Carlo simulations in the study of a real lattice gas and its application to the alpha ' Pd-D system , 1982 .

[11]  A. Stoneham Theory of defects in solids , 1979 .

[12]  G. L. Squires,et al.  Introduction to the Theory of Thermal Neutron Scattering: Neutron optics , 1978 .

[13]  H. Schenk,et al.  The coordination of hydrogen in transition metal hydrides , 1977 .

[14]  C. Pelizzari,et al.  Phonon spectra of nonstoichiometric palladium hydrides , 1976 .

[15]  D. Ross,et al.  Optical vibrations of hydrogen in metals , 1976 .

[16]  B. Morosin,et al.  Lattice constants of. beta. -PdH/subx/ and. beta. -PdD/subx/ with x near 1. 0 , 1975 .

[17]  H. G. Smith,et al.  Lattice Dynamics of a Single Crystal of Pd D 0.63 , 1974 .

[18]  W. Kohn,et al.  Self-Consistent Equations Including Exchange and Correlation Effects , 1965 .

[19]  P. Hohenberg,et al.  Inhomogeneous Electron Gas , 1964 .

[20]  H. Wipf Hydrogen in Metals III , 1997 .

[21]  B. Dorner,et al.  Inelastic incoherent neutron scattering spectra from fcc NiH1.05, hcp CrH1.0 and hcp MoH1.2 at 15K , 1989 .

[22]  W. A. Oates,et al.  Inelastic Neutron Scattering Measurements of Optical Vibration Frequency Distributions in Hydrogen-Metal Systems , 1979 .

[23]  L. C. Clune,et al.  Structure in the Neutron Scattering Spectra of Zirconium Hydride , 1971 .

[24]  Thomas Graham,et al.  XVIII. On the absorption and dialytic separation of gases by colloid septa , 1866, Philosophical Transactions of the Royal Society of London.