The application of the GI method to band calculations is discussed with primary emphasis on the alkali metals. The GI method goes beyond Hartree-Fock by allowing all orbitals to split, however the total wavefunction is modified so as to retain the correct spin symmetry. We find that the resulting band structure leads to a natural explanation of such puzzling properties as, the magneto-resistance, the prepeaking of the soft X-ray emission spectrum of Li, and the Mott Paradox
A model calculation has been carried out using a Yukawa type potential to investigate the possibilit...
We propose and apply a combination of an ab initio (band-structure) calculation with a many-body tre...
The GW method is a standard method to calculate the electronic band structure from first principles....
The application of the GI method to band calculations is discussed with primary emphasis on the alka...
A new approach to studying the electronic energy band structure on solids has been developed and cal...
A new method, the GI method, for electronic wave functions has been applied to the study of energy b...
Norm conserving pseudopotentials are implemented in the Hartree Fock formalism to study the local el...
In this manuscript we use nonrelativistic self-consistent Hartree-Fock theory to compute the electro...
104 p.Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 1986.Norm conserving pseudopotenti...
An ab initio model is developed for calculating the approximate electronic structure of local excite...
Phonon frequencies of alkali metals are calculated using the single orthogonalized-plane-wave electr...
The GW method is a standard method to calculate the electronic band structure from first principles....
Band Theory of Metals: The Elements focuses on the band theory of solids. The book first discusses r...
For the determination of the electronic structure of solids we propose and apply a combination of an...
Accurate electronic structure calculations are becoming more and more important because of the incre...
A model calculation has been carried out using a Yukawa type potential to investigate the possibilit...
We propose and apply a combination of an ab initio (band-structure) calculation with a many-body tre...
The GW method is a standard method to calculate the electronic band structure from first principles....
The application of the GI method to band calculations is discussed with primary emphasis on the alka...
A new approach to studying the electronic energy band structure on solids has been developed and cal...
A new method, the GI method, for electronic wave functions has been applied to the study of energy b...
Norm conserving pseudopotentials are implemented in the Hartree Fock formalism to study the local el...
In this manuscript we use nonrelativistic self-consistent Hartree-Fock theory to compute the electro...
104 p.Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 1986.Norm conserving pseudopotenti...
An ab initio model is developed for calculating the approximate electronic structure of local excite...
Phonon frequencies of alkali metals are calculated using the single orthogonalized-plane-wave electr...
The GW method is a standard method to calculate the electronic band structure from first principles....
Band Theory of Metals: The Elements focuses on the band theory of solids. The book first discusses r...
For the determination of the electronic structure of solids we propose and apply a combination of an...
Accurate electronic structure calculations are becoming more and more important because of the incre...
A model calculation has been carried out using a Yukawa type potential to investigate the possibilit...
We propose and apply a combination of an ab initio (band-structure) calculation with a many-body tre...
The GW method is a standard method to calculate the electronic band structure from first principles....