TY - RPRT
T1 - One-Electron Theory of Metals. Cohesive and Structural Properties
AU - Skriver, Hans Lomholt
PY - 1984
Y1 - 1984
N2 - The work described in the report r.nd the 16 accompanying
publications is based upon a one-electron theory obtained
within the local approximation to density-functional theory,
and deals with the ground state of metals as obtained from selfconsistent
electronic-structure calculations performed by means
of the Linear Muffin-Tin Orbital (LMTO) method. It has been the
goal of the work to establish how well this one-electron approach
describes physical properties such as the crystal structures of
the transition metals, the structural phase transitions in the
alkali, alkaline earth, and rare earth metals, and the localization
of 3d, 4f, and 5f electrons in the 3d metal monoxides,
the light lanthanides, and the actinides, respectively, as well
as the cohesive properties of metals in general.!
AB - The work described in the report r.nd the 16 accompanying
publications is based upon a one-electron theory obtained
within the local approximation to density-functional theory,
and deals with the ground state of metals as obtained from selfconsistent
electronic-structure calculations performed by means
of the Linear Muffin-Tin Orbital (LMTO) method. It has been the
goal of the work to establish how well this one-electron approach
describes physical properties such as the crystal structures of
the transition metals, the structural phase transitions in the
alkali, alkaline earth, and rare earth metals, and the localization
of 3d, 4f, and 5f electrons in the 3d metal monoxides,
the light lanthanides, and the actinides, respectively, as well
as the cohesive properties of metals in general.!
KW - Risø-R-516
KW - Risø-R-516(EN)
M3 - Report
SN - 87-550-1136-5
T3 - Denmark. Forskningscenter Risoe. Risoe-R
BT - One-Electron Theory of Metals. Cohesive and Structural Properties
PB - Danmarks Tekniske Universitet, Risø Nationallaboratoriet for Bæredygtig Energi
CY - Roskilde
ER -