Chem. J. Chinese Universities ›› 1993, Vol. 14 ›› Issue (2): 228.
• Articles • Previous Articles Next Articles
DENG Cong-Hao, ZHANG Rui-Qin, FENG Da-Cheng
Received:
Revised:
Online:
Published:
Abstract: In this paper, the hyperspherical coordinates are used to describe the Schrodinger equation of He and H-.The equation of motion of two-electron atom in 3-Dspace is transformed into that of one-electron atom in 6-Dspace, subjected to generalized Coulombic potential.The cigenfunctions of the generalized angular momentum operator are used as a basis set for the hyperspherical wavefunc-tion, with which a coupled differential equation of hyperradial wave-function is obtained, By describing the hyperradial wave-function with generalized Laguerre polynomials, a secular equation is gotten for the non-orthogonal basis set of hyperradial wavefunction by means of linear variational method.The calculated ground state energies of He and H- agree well with precise values.
Key words: Hyperspherical coordinates, Linear variation, Non-orthogonal basis set
TrendMD:
DENG Cong-Hao, ZHANG Rui-Qin, FENG Da-Cheng . Variational Calculations of Atoms and Molecules in Hyperspherical Coordinates ——Ground States of Helium Atom and Hydrogen Negative Ion[J]. Chem. J. Chinese Universities, 1993, 14(2): 228.
0 / / Recommend
Add to citation manager EndNote|Ris|BibTeX
URL: http://www.cjcu.jlu.edu.cn/EN/
http://www.cjcu.jlu.edu.cn/EN/Y1993/V14/I2/228