Hylleraas six‐term wave function: Correction

 

Toshikatsu Koga

 

• Department of Applied Chemistry, Muroran Institute of Technology, Muroran, Hokkaido 050, Japan

 

 

ABSTRACT

The Hylleraas six‐term wave function, Ψ₆=exp(−ζs)(1+c₁u+c₂t²+c₃s+c₄s² +c₅u²), is known as a typical function which shows the importance of the electron correlation for two‐electron atoms. We report that the wave function associates an energy much lower than the value given in the literature. In the case of helium atom, for example, we have obtained −2.903 329 354 au, while the literature states −2.903 24 au. The accurate parameters are given for atoms from H⁻ through Ne⁸⁺.

 

https://sci-hub.se/https://doi.org/10.1063/1.458804