Scaling the spin densities separately in density-functional theory

被引:0
|
作者
Magyar, RJ
Whittingham, TK
Burke, K
机构
[1] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA
[2] Rutgers State Univ, Dept Chem & Biol Chem, Piscataway, NJ 08854 USA
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中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Coordinate scaling of each spin density separately is considered in spin-density-functional theory. A virial theorem relates the spin-scaled correlation energy to the spin-scaled correlation potentials. An adiabatic connection formula expresses energies at different spin interaction strengths in terms of spin scaling. Several popular approximate functionals are evaluated on the spin-scaled densities of atoms and of the uniform electron gas. The differences between this and uniform scaling are discussed.
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页数:8
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