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Highly Cited

2006

Highly Cited

2006

The exact one-electron matrix quasirelativistic theory [Kutzelnigg and Liu, J. Chem. Phys. 123, 241102 (2005)] is extended to the… Expand

Review

2002

Review

2002

This paper is the outgrowth of lectures the author gave at the Physics Institute and the Chemistry Institute of the University of… Expand

Highly Cited

2001

Highly Cited

2001

Consider the following inequalities due to Caffarelli, Kohn, and Nirenberg [6]
where, for N ≥ 3, −∞ < a < (N − 2)/2… Expand

Highly Cited

2001

Highly Cited

2001

A multicomponent density-functional theory is developed for the combined system of electrons and nuclei. We construct approximate… Expand

Highly Cited

1999

Highly Cited

1999

We present an analytical study of the spatial decay rate γ of the one-particle density matrix ρ(~r, ~r ) ∼ exp(−γ|~r−~r ′|) for… Expand

Highly Cited

1997

Highly Cited

1997

We present first-principles charge- and spin-self-consistent electronic structure computations on the Heusler-type disordered… Expand

Highly Cited

1995

Highly Cited

1995

In this paper we use the coherent-potential approximation within the Korringa-Kohn-Rostocker band-structure scheme to investigate… Expand

Highly Cited

1993

Highly Cited

1993

In this paper, a multiple-scattering formalism for electromagnetic waves is presented. Its application to the three-dimensional… Expand

Highly Cited

1991

Highly Cited

1991

We propose an approach to the calculation of the cohesive and the structural properties of solids. This approach is based on the… Expand

Highly Cited

1985

Highly Cited

1985

The Korringa-Kohn-Rostoker coherent-potential approximation is a powerful and versatile tool for calculating the single-particle… Expand