An efficient and accurate decomposition of the Fermi operator.
We present a method to compute the Fermi function of the Hamiltonian for a system of independent fermions based on an exact decomposition of the grand-canonical potential. This scheme does not rely on the localization of the orbitals and is insensitive to ill-conditioned Hamiltonians. It lends itsel...
| Príomhchruthaitheoirí: | , , |
|---|---|
| Formáid: | Journal article |
| Teanga: | English |
| Foilsithe / Cruthaithe: |
2008
|