scholarly journals Self-consistent determination of electronic structure and elementary excitations of finite modulation-doped superlattices

1993 ◽  
Vol 47 (23) ◽  
pp. 15692-15699 ◽  
Author(s):  
Roger H. Yu
Keyword(s):  
Electronic Structure ◽  
Elementary Excitations ◽  
Self Consistent

Ab initio study of water: self-consistent determination of electronic structure and liquid state properties

1997 ◽  
Vol 276 (1-2) ◽  
pp. 20-25 ◽  
Author(s):  
Sarah Maw ◽  
Hirofumi Sato ◽  
Seiichiro Ten-no ◽  
Fumio Hirata
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Liquid State ◽  
Ab Initio Study ◽  
Self Consistent

Full Potential, Total Energy Lmto Calculation of Interface Structure in Ti-C and W-C Superlattices

1988 ◽  
Vol 141 ◽  
Author(s):  
David L. Price ◽  
Bernard R. Cooper
Keyword(s):  
Electronic Structure ◽  
Total Energy ◽  
Equilibrium Structure ◽  
Crystallographic Structure ◽  
Full Potential ◽  
Energy Calculations ◽  
Self Consistent ◽  
Electronic Structure Methods ◽  
Low Symmetry

AbstractWe discuss calculations of the electronic and crystallographic structure at the interfaces of titanium-carbon and tungsten-carbon superlattices. Specifically, we present total energy calculations for an arrangement of atoms designed to allow direct investigation of the competition between the formation of M-C bonds and C-C bonds. We conclude that the equilibrium structure is dominated by C-C bonding and so find that the interface has a graphite-like atomic arrangement rather than a carbide-like arrangement. These total energy calculations have been performed using a recently developed self-consistent linear combination of muffin-tin orbitals electronic structure method. This is a full-potential, all-electron, variation on standard LMTO electronic structure methods and, along with careful self-consistent determination of the parameters involved, allows accurate total energy calculations of the type of low symmetry systems involved in this study.

scholarly journals Accuracy of Doppler Determinations of Station Positions

1972 ◽  
Vol 48 ◽  
pp. 101-103
Author(s):  
R. J. Anderle
Keyword(s):  
Elevation Angle ◽  
High Elevation ◽  
Time Of Day ◽  
Satellite Observations ◽  
Standard Errors ◽  
Lower Elevation ◽  
Self Consistent

Locations of Doppler satellite observing stations have been revised to obtain a set which is more self-consistent and more consistent with the CIO pole. Residuals of satellite observations for 1970 have been analyzed using the new coordinates to determine mean and standard errors for five days of observations of latitude versus station, time of day, and elevation angle. The accuracy of the determination of latitude is about 4 meters at moderate and high elevation angles. But since more satellite passes occur at lower elevation angles, the accuracy of determination of a component of position based on five days of observation of one satellite is only about 2 meters.

scholarly journals Electronic structure of TiSe2 from a quasi-self-consistent G0W0 approach

2021 ◽  
Vol 103 (7) ◽  
Author(s):  
Maria Hellgren ◽  
Lucas Baguet ◽  
Matteo Calandra ◽  
Francesco Mauri ◽  
Ludger Wirtz
Keyword(s):  
Electronic Structure ◽  
Self Consistent
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