Quan-de Wang, Han-yu Wu, Ke-xiang Fu, Xiang-yuan Li. Continuum Model for Electronic Polarization Based on a Novel Dielectric Response Function[J]. Chinese Journal of Chemical Physics , 2009, 22(5): 481-488. doi: 10.1088/1674-0068/22/05/481-488
Citation: Quan-de Wang, Han-yu Wu, Ke-xiang Fu, Xiang-yuan Li. Continuum Model for Electronic Polarization Based on a Novel Dielectric Response Function[J]. Chinese Journal of Chemical Physics , 2009, 22(5): 481-488. doi: 10.1088/1674-0068/22/05/481-488

Continuum Model for Electronic Polarization Based on a Novel Dielectric Response Function

doi: 10.1088/1674-0068/22/05/481-488
Funds:  This work was supported by the National Natural Science Foundation of China(No.20533070,No.20625331,and No.20873087).
  • Received Date: 2009-06-11
  • A generalized response function based on the use of dielectric spectra for dielectric relaxationprocess is derived.We apply the general response function to the special case in order to examine how special dielectric relaxation functions developed by other authors for solvent relaxation can be derived based on our formulations.Three typical solvents,water,methanol,and acetonitrile are used to investigate the electronic polarization processes of polar solvents.The solvent electronic polarization process is shown after a linear variation with the external electric field imposed on the solvent.The results show a conclusion that the electronic polarization of the solvents will accompany the electronic transition synchronously, without time lag.
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Continuum Model for Electronic Polarization Based on a Novel Dielectric Response Function

doi: 10.1088/1674-0068/22/05/481-488
Funds:  This work was supported by the National Natural Science Foundation of China(No.20533070,No.20625331,and No.20873087).

Abstract: A generalized response function based on the use of dielectric spectra for dielectric relaxationprocess is derived.We apply the general response function to the special case in order to examine how special dielectric relaxation functions developed by other authors for solvent relaxation can be derived based on our formulations.Three typical solvents,water,methanol,and acetonitrile are used to investigate the electronic polarization processes of polar solvents.The solvent electronic polarization process is shown after a linear variation with the external electric field imposed on the solvent.The results show a conclusion that the electronic polarization of the solvents will accompany the electronic transition synchronously, without time lag.

Quan-de Wang, Han-yu Wu, Ke-xiang Fu, Xiang-yuan Li. Continuum Model for Electronic Polarization Based on a Novel Dielectric Response Function[J]. Chinese Journal of Chemical Physics , 2009, 22(5): 481-488. doi: 10.1088/1674-0068/22/05/481-488
Citation: Quan-de Wang, Han-yu Wu, Ke-xiang Fu, Xiang-yuan Li. Continuum Model for Electronic Polarization Based on a Novel Dielectric Response Function[J]. Chinese Journal of Chemical Physics , 2009, 22(5): 481-488. doi: 10.1088/1674-0068/22/05/481-488

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