Includes bibliographical references.Includes illustrations.The first step in this work was a study of the augmented plane wave method in general and Louck’s programs in particular. The next stage was to adopt these programs for use on the 360 IBM Computer at Northern Illinois University. Several materials were then studied, especially beryllium and silicon. The results of a preliminary study of the band dependence of silicon with lattice constant was reported and analyzed for its failures and predictions. Finally some suggestions for further work were noted.M.S. (Master of Science
A comparison of methods for calculating the field from a single dipole source in the proximity of an...
The non-relativistic augmented-plane-wave method of J.C. Slater for calculating electronic energy ba...
Traditional plane wave G0W0 calculation size is limited by two bottlenecks : the need to invert a la...
Bevat tevens overdr. van tijdschriftartikelen van andere auteurs over het betreffende onderwerp, 193...
SIGLELD:D48783/84 / BLDSC - British Library Document Supply CentreGBUnited Kingdo
The present thesis concerns method development and applications in the field of first principles ele...
SIGLEAvailable from British Library Document Supply Centre- DSC:D37966/81 / BLDSC - British Library ...
This paper investigates the augmented plane wave methods which are widely used in full-pot...
International audienceWe propose accurate computable error bounds for quantities of interest in plan...
PACS. 71.20.-b Electron density of states and band structure of crystalline solids , - 71.22.+i Elec...
The orthogonalized plane wave (OPW) method of calculating electronic continuum wave-functions is tes...
We demonstrate the use of the plane wave basis for all-electron electronic structure calculations. T...
Traditional plane wave G0W0 calculation size is limited by two bottlenecks : the need to invert a la...
Linear-scaling methods for density functional theory promise to revolutionize the scope and scale of...
The full-potential linearized augmented-plane wave (FP-LAPW) method is well known to enable most acc...
A comparison of methods for calculating the field from a single dipole source in the proximity of an...
The non-relativistic augmented-plane-wave method of J.C. Slater for calculating electronic energy ba...
Traditional plane wave G0W0 calculation size is limited by two bottlenecks : the need to invert a la...
Bevat tevens overdr. van tijdschriftartikelen van andere auteurs over het betreffende onderwerp, 193...
SIGLELD:D48783/84 / BLDSC - British Library Document Supply CentreGBUnited Kingdo
The present thesis concerns method development and applications in the field of first principles ele...
SIGLEAvailable from British Library Document Supply Centre- DSC:D37966/81 / BLDSC - British Library ...
This paper investigates the augmented plane wave methods which are widely used in full-pot...
International audienceWe propose accurate computable error bounds for quantities of interest in plan...
PACS. 71.20.-b Electron density of states and band structure of crystalline solids , - 71.22.+i Elec...
The orthogonalized plane wave (OPW) method of calculating electronic continuum wave-functions is tes...
We demonstrate the use of the plane wave basis for all-electron electronic structure calculations. T...
Traditional plane wave G0W0 calculation size is limited by two bottlenecks : the need to invert a la...
Linear-scaling methods for density functional theory promise to revolutionize the scope and scale of...
The full-potential linearized augmented-plane wave (FP-LAPW) method is well known to enable most acc...
A comparison of methods for calculating the field from a single dipole source in the proximity of an...
The non-relativistic augmented-plane-wave method of J.C. Slater for calculating electronic energy ba...
Traditional plane wave G0W0 calculation size is limited by two bottlenecks : the need to invert a la...
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