A tight‐binding model for calculations of structures and properties of graphitic nanotubes

1996 ◽  
Vol 104 (12) ◽  
pp. 4652-4656 ◽  
Author(s):  
Jose Molina Molina ◽  
S. S. Savinsky ◽  
N. V. Khokhriakov
Keyword(s):  
Tight Binding ◽  
Tight Binding Model ◽  
Binding Model ◽  
Structures And Properties

scholarly journals Environment-Dependent Tight-Binding Potential Model

1997 ◽  
Vol 491 ◽  
Author(s):  
C. Z. Wang ◽  
B. C. Pan ◽  
M. S. Tang ◽  
H. Haas ◽  
M. Sígalas ◽  
...  
Keyword(s):  
Potential Model ◽  
Tight Binding ◽  
Binding Potential ◽  
Tight Binding Model ◽  
Binding Parameters ◽  
Binding Model ◽  
Structures And Properties ◽  
Metallic Systems

ABSTRACTWe have developed a tight-binding model which goes beyond the traditional two-center approximation and allows the tight-binding parameters to scale according to the bonding environment. Our studies show that this environment-dependent tight-binding model improves remarkably the accuracy and transferability of the potential to describe the structures and properties of higher coordinated metallic systems in addition to those of low coordinated covalent systems.

scholarly journals Optoelectronic properties of one-dimensional molecular chains simulated by a tight-binding model

AIP Advances ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 015127
Author(s):  
Qiuyuan Chen ◽  
Jiawei Chang ◽  
Lin Ma ◽  
Chenghan Li ◽  
Liangfei Duan ◽  
...  
Keyword(s):  
Tight Binding ◽  
Optoelectronic Properties ◽  
Tight Binding Model ◽  
Binding Model ◽  
One Dimensional

Investigating 3,4-bis(3-nitrofurazan-4-yl)furoxan detonation with a rapidly tuned density functional tight binding model

2021 ◽  
Vol 154 (16) ◽  
pp. 164115
Author(s):  
Rebecca K. Lindsey ◽  
Sorin Bastea ◽  
Nir Goldman ◽  
Laurence E. Fried
Keyword(s):  
Density Functional ◽  
Tight Binding ◽  
Tight Binding Model ◽  
Binding Model

Self-consistent tight binding model adapted for hydrocarbon systems

2005 ◽  
Vol 31 (8) ◽  
pp. 585-595 ◽  
Author(s):  
D. A. Areshkin ◽  
O. A. Shenderova ◽  
J. D. Schall ◽  
D. W. Brenner
Keyword(s):  
Tight Binding ◽  
Tight Binding Model ◽  
Binding Model ◽  
Self Consistent
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