scholarly journals Localized-Density-Matrix Method and Its Application to Carbon Nanotubes

2000 ◽  
Vol 104 (11) ◽  
pp. 2445-2453 ◽  
Author(s):  
WanZhen Liang ◽  
Satoshi Yokojima ◽  
DongHao Zhou ◽  
GuanHua Chen
Keyword(s):  
Carbon Nanotubes ◽  
Density Matrix ◽  
Matrix Method

scholarly journals Localized-density-matrix method and its application to nanomaterials

2000 ◽  
Vol 72 (1-2) ◽  
pp. 281-291 ◽  
Author(s):  
GuanHua Chen ◽  
Satoshi Yokojima ◽  
WanZhen Liang ◽  
XiuJun Wang
Keyword(s):  
Carbon Nanotubes ◽  
Excited State ◽  
Density Matrix ◽  
Absorption Spectra ◽  
Matrix Method ◽  
Nanoscale Materials ◽  
Large Systems

The localized-density-matrix (LDM) method has been developed to calculate the excited state properties of very large systems containing thousands of atoms. It is particularly suitable for simulating the dynamic electronic processes in nanoscale materials, and has been applied to poly(p-phenylenevynelene) (PPV) aggregates and carbon nanotubes. Absorption spectra of PPVs and carbon nanotubes have been calculated and compared to the experiments.

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