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...
| Main Authors: | , , |
|---|---|
| 格式: | Journal article |
| 语言: | English |
| 出版: |
2008
|