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Accurate Theoretical Study of LiS Radical and Its Singly Charged Cation and Anion in their Ground Electronic State
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作者 曹恩 刘爽 宋玉志 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2017年第2期128-134,I0001,共8页
Potential energies of LiS(^2∏), LiS-(^1E+) and LiS+ (^3E-) are calculated by using the multi- reference configuration interaction method including Davidson correction and the augmented correlation-consistent ... Potential energies of LiS(^2∏), LiS-(^1E+) and LiS+ (^3E-) are calculated by using the multi- reference configuration interaction method including Davidson correction and the augmented correlation-consistent basis sets aug-cc-PV(X+d)Z (X=T, Q). Such obtained potential energies are subsequently extrapolated to the complete basis set limit. Both the core-valence correction and the relativistic effect are also considered. The analytical potential energy functions are then obtained by fitting such accurate energies utilizing a least-squares fitting procedure. By using such analytical potential energy functions, we obtain the accurate spectroscopic parameters, complete set of vibrational levels and classical turning points. The present results are compared well with the experimental and other theoretical work. 展开更多
关键词 energy levels analytical potential energy function Spectroscopic constants VIBRATIONAL
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3-D rheologic model of earthquake prepa-ration (III): Precursor field
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作者 宋治平 梅世蓉 尹祥础 《Acta Seismologica Sinica(English Edition)》 CSCD 2006年第1期20-29,共10页
On the basis of the theory of viscoelastic displacement and strain field for the three-dimensional rheologic model of earthquake preparation, this paper mainly studies the theoretical solution of precursor field for t... On the basis of the theory of viscoelastic displacement and strain field for the three-dimensional rheologic model of earthquake preparation, this paper mainly studies the theoretical solution of precursor field for the three-dimensional rheologic model of earthquake preparation. We derive the viscoelastic analytical expressions of the ground tilt, underground water level, earth resistivity at an arbitrary point (x, y, z) in the rheologic medium, and analyzed the earth resistivity preliminarily, providing a certain theoretical basis for the precursor analysis of seismogenic process. 展开更多
关键词 elastic inclusion theory rheologic inclusion theory viscoelastic analytical expression ground tilt underground water level earth resistivity
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