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|Title:||Relationship between the Coulomb Integral U and the Stoner Parameter I. Reply|
|Authors:||SEVERIN L.; JOHANSSON B.|
|Citation:||Physical Review Letters vol. 76 no. 18 p. 3466-3467|
|Type:||Articles in periodicals and books|
|Abstract:||We report a study of the relative importance of self-exchange and inter-orbital exchange interactions in both the local spin density (LSDA) and Hartree Fock (HFA) approximations. Central to our considerations was that intra-orbital self-exchange, which in HFA is the Coulomb integral, F0, is a major part of the spin polarization energy in both HFA and LSDA. We illustrate the role of self-exchange in LSDA with the extreme example of the hydrogen atom where it is responsible for the entire spin polarization energy.|
|JRC Institute:||Institute for Transuranium Elements|
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