Ab initio self−consistent field (SCF) calculations on borane icosahedra with zero, one, or two substituted carbon atoms

1988 ◽  
Vol 89 (11) ◽  
pp. 6815-6822 ◽  
Author(s):  
T. A. Green ◽  
A. C. Switendick ◽  
David Emin
Keyword(s):  
Ab Initio ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Scf Calculations

OPTICAL TRANSITIONS IN A PARABOLIC GaAs/Ga1-xAlxAs SUPERLATTICES

2001 ◽  
Vol 08 (03n04) ◽  
pp. 321-325
Author(s):  
ŞAKIR ERKOÇ ◽  
HATICE KÖKTEN
Keyword(s):  
Transition Matrix ◽  
Optical Transition ◽  
Matrix Elements ◽  
Electron States ◽  
Parabolic Potential ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Transition Matrix Elements ◽  
Scf Calculations

We have performed self-consistent field (SCF) calculations of the electronic structure of GaAs/Ga 1-x Al x As superlattices with parabolic potential profile within the effective mass theory. We have calculated the optical transition matrix elements involving transitions from the hole states to the electron states, and we have also computed the oscillator strength matrix elements for the transitions among the electron states.

Faster Self-Consistent Field (SCF) Calculations on GPU Clusters

2021 ◽  
Author(s):  
Giuseppe M. J. Barca ◽  
Melisa Alkan ◽  
Jorge L. Galvez-Vallejo ◽  
David L. Poole ◽  
Alistair P. Rendell ◽  
...  
Keyword(s):  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Gpu Clusters ◽  
Scf Calculations
Sign in / Sign up

Export Citation Format

Share Document