O. Jepsen

Improved tetrahedron method for Brillouin-zone integrations

Several improvements of the tetrahedron method for Brillouin-zone integrations are presented. (1) A translational grid of k points and tetrahedra is suggested that renders the r...

Explicit, First-Principles Tight-Binding Theory

The minimal base of muffin-tin orbitals is transformed exactly into a tight-binding base. The linear transformations, the orbitals, and the Hamiltonian, overlap, and Green's fun...

Density-functional calculation of the parameters in the Anderson model: Application to Mn in CdTe

We discuss methods for ab initio calculations of the parameters in the Anderson model. First, we present a very simple method for calculating the appropriate combination of hopp...

What can be learned about highTc from local density theory?

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We present calculations of resonance photoemission spectra for ${\mathrm{Nd}}_{2}$${\mathrm{CuO}}_{4}$. The calculations use a model Hamiltonian for which all parameters for the...

Electronic structure and thermoelectric properties of bismuth telluride and bismuth selenide

The electronic structures of the two thermoelectric materials and are studied using density-functional theory with the spin - orbit interaction included. The electron states in ...

No error in the tetrahedron integration scheme

The title and introductory paragraph of a recent Rapid Communication are highly misleading. The content is correct. We make further suggestions for the most efficient use of the...

Electrons, phonons, and their interaction in YBa2Cu3O7