In:
Acta Physica Sinica, Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences, Vol. 57, No. 7 ( 2008), p. 4386-
Abstract:
The potential that a hydrogen atom experiences in a metallic niobium crystal is calculated using the pseudopotential plane-wave method based on density functional theory. The quantum states of the hydrogen atom in such a potential are obtained by solving Schrdinger equation directly. The ground state and the first excited state are shown to be local, while the others are delocalized. A hydrogen atom in high excited states may move on a 4T or 6T ring.
Type of Medium:
Online Resource
ISSN:
1000-3290
,
1000-3290
Language:
Unknown
Publisher:
Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences
Publication Date:
2008