Accurate studies on the full vibrational energy spectra and molecular dissociation energies for some electronic states of N2 molecule

2005 ◽  
Vol 48 (4) ◽  
pp. 385 ◽  
Author(s):  
Weiyi REN
Keyword(s):  
Vibrational Energy ◽  
Electronic States ◽  
Energy Spectra ◽  
Molecular Dissociation ◽  
Dissociation Energies

Accurate vibrational energy spectra and dissociation energies of some diatomic electronic states

2008 ◽  
Vol 3 (4) ◽  
pp. 382-413 ◽  
Author(s):  
Wei-guo Sun ◽  
Xiu-ying Liu ◽  
Yu-jie Wang ◽  
Yan Zhan ◽  
Qun-chao Fan
Keyword(s):  
Vibrational Energy ◽  
Electronic States ◽  
Energy Spectra ◽  
Dissociation Energies

scholarly journals Full Vibrational Energy Spectra and Dissociation Energies for Some Electronic States of Diatomic Halogen Molecules

2009 ◽  
Vol 25 (01) ◽  
pp. 13-18
Author(s):  
QU Shuang-Shuang ◽  
◽  
SUN Wei-Guo ◽  
WANG Yu-Jie ◽  
FAN Qun-Chao
Keyword(s):  
Vibrational Energy ◽  
Electronic States ◽  
Energy Spectra ◽  
Dissociation Energies

The Energy Band Structure of Polyacene with Soliton Excitation

1997 ◽  
Vol 11 (11) ◽  
pp. 477-483 ◽  
Author(s):  
Z. J. Li ◽  
H. B. Xu ◽  
K. L. Yao
Keyword(s):  
Band Structure ◽  
Charge Density ◽  
Energy Band ◽  
Energy Gap ◽  
Electronic States ◽  
Energy Band Structure ◽  
Energy Spectra ◽  
Energy Band Gap ◽  
The One ◽  
Soliton Excitation

Starting from the extensional Su–Schrieffer–Heeger model taking into account the effects of interchain coupling, we have studied the energy spectra and electronic states of soliton excitation in polyacene. The dimerized displacement u0 is found to be similar to the case of trans-polyacetylene, and equals to 0.04 Å. The energy-band gap is 0.38 eV, in agreement with the results derived by other authors. Two new bound electronic states have been found in the conduction band and in the valence band, which is different from the one of trans-polyacetylene. There exists two degenerate soliton states in the center of energy gap. Furthermore, the distribution of charge density and spin density have been discussed in detail.

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