https://asunaprevirinhibitor.c....om/affected-individu
Making use of plane-wave density practical theory as starting point, we build a multiplet Hamiltonian making use of maximally localized Wannier features. The Hamiltonian includes spin-orbit and electron-electron interactions needed to have the appropriate spin characteristics. The resulting reduced Hamiltonian is solved by exact diagonalization. We contrast three prototypical instances of 3d transition metals Mn (complete spin S = 5/2), Fe (S = 2), and Co (S = 3/2) on MgO with experimenta
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