6 papers
Equation-of-Motion Approach to Dynamical Mean Field Theory
Jian-Xin Zhu, R. C. Albers, J. M. Wills
We propose using an equation-of-motion approach as an impurity solver for dynamical mean field theory. As an illustration of this technique, we consider a finite- Hubbard model…
On The Nature of the 5f States in Delta Plutonium
J. M. Wills, O. Eriksson, A. Delin +7
We present a theoretical model of the electronic structure of delta-Pu that is consistent with many of the electronic structure related properties of this complex metal. In particu…
Excited States Calculated by Means of the Linear Muffin-Tin Orbital Method
M. Alouani, J. M. Wills
The most popular electronic structure method, the linear muffin-tin orbital method (LMTO), in its full-potential (FP) and relativistic forms has been extended to calculate the spec…
Full-Potential LMTO: Total Energy and Force Calculations
John M Wills, Olle Eriksson, Mebarek Alouani +1
The essential features of a full potential electronic structure method using Linear Muffin-Tin Orbitals (LMTOs) are presented. The electron density and potential in the this method…
Spin-orbit coupling in the actinide elements: a critical evaluation of theoretical equilibrium volumes
J. M. Wills, P. H. Andersson, L. Nordstrom +2
In a recent paper by Jones et al., it is argued, based on FP-LAPW band-structure calculations, that previous calculations of ground-state properties for actinides, using the FP-LMT…
Alouani {\it et al.} Reply to Comment on Tuning of the CDW in MX Chains
M. Alouani, J. W. Wilkins, R. C. Albers +1
This is a reply to J. T. Gammel's Comment (9404047) on Tuning of the CDW in MX Chains. We show that while the harmonic elastic energy can fit a small region around zero dimerizatio…