Collective excitations in open-shell metal clusters: The time-dependent local-density approximation applied to the self-consistent spheroidal jellium particle

1991 ◽  
Vol 43 (2) ◽  
pp. 1322-1330 ◽  
Author(s):  
W. Ekardt ◽  
Z. Penzar
Keyword(s):  
Local Density Approximation ◽  
Metal Clusters ◽  
Local Density ◽  
Open Shell ◽  
The Self ◽  
Time Dependent ◽  
Collective Excitations ◽  
Density Approximation ◽  
Self Consistent

Optical properties of gold metal clusters: A time-dependent local-density-approximation investigation

1998 ◽  
Vol 4 (1) ◽  
pp. 95-108 ◽  
Author(s):  
J. Lermé ◽  
B. Palpant ◽  
B. Prével ◽  
E. Cottancin ◽  
M. Pellarin ◽  
...  
Keyword(s):  
Optical Properties ◽  
Local Density Approximation ◽  
Metal Clusters ◽  
Local Density ◽  
Time Dependent ◽  
Density Approximation ◽  
Gold Metal

Self-consistent-field calculations of atoms and ions using a modified local-density approximation

1994 ◽  
Vol 50 (1) ◽  
pp. 171-176 ◽  
Author(s):  
David A. Liberman ◽  
James R. Albritton ◽  
Brian G. Wilson ◽  
William E. Alley
Keyword(s):  
Local Density Approximation ◽  
Local Density ◽  
Density Approximation ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

Relation of Phase Stability Boundary to the Fill-Up Bonding States In Ni3V,Co3V and Fe3V

1990 ◽  
Vol 213 ◽  
Author(s):  
W. Lin ◽  
Jian-Hua Xu ◽  
A.J. Freeman
Keyword(s):  
Structural Stability ◽  
Electronic Structures ◽  
Local Density ◽  
Stability Boundary ◽  
The Self ◽  
Orbital Method ◽  
Density Approximation ◽  
Cohesive Properties ◽  
Self Consistent ◽  
Electronic Concentration

ABSTRACTThe electronic structures and cohesive properties of the intermetallics Ni3V, Co3V, and Fe3V in the L12 structure have been studied using the self-consistent total energy linear muffin-tin orbital method based on the local density approximation. The simple rigid-band concept appears to be adequate to explain the structural stability of these compounds. Further,the structural stability of the pseudobinary compounds (Ni,Co,Fe)3V has been investigated based on the rigid-band scheme. The correlation between the electronic concentration and the crystal structure is shown to be related to the fill-up of the bonding states.

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