Toward Exact Analytical Wave Function of Helium Atom: Two Techniques for Constructing Homogeneous Functions of Kinetic Energy Operator

He Bing-Hau, Henryk A. Witek*

*此作品的通信作者

研究成果: Article同行評審

2 引文 斯高帕斯(Scopus)

摘要

We discuss two general techniques for constructing homogeneous functions φ of the kinetic energy operator T for the helium atom in a state of symmetry S. The first technique is based on algebraic identification of the kernel of T in a space spanned by some predetermined set of basis functions. The second technique, analytic in nature, constructs the homogeneous functions of T as formal power series with coefficients deduced from recurrence relations stemming from the requirement Tφ=0. Both approaches are capable of producing a great variety of homogeneous functions φ with arbitrary homogeneity that can prove useful for constructing the exact ground state wave function for the helium atom.

原文English
頁(從 - 到)69-82
頁數14
期刊Journal of the Chinese Chemical Society
63
發行號1
DOIs
出版狀態Published - 1月 2016

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