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cond-mat.mtrl-sci2003
Density-functional calculation of ionization energies of current-carrying atomic states
E. Orestes, T. Marcasso, K. Capelle
Current-density-functional theory is used to calculate ionization energies of current-carrying atomic states. A perturbative approximation to full current-density-functional theory…
cond-mat.mtrl-sci2003
Spin-distribution functionals and correlation energy of the Heisenberg model
Valter L. Libero, K. Capelle
We analyse the ground-state energy and correlation energy of the Heisenberg model as a function of spin, both in the ferromagnetic and in the antiferromagnetic case, and in one, tw…