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Citation: Zheng Neng-Wu, Sun Yu-Jie, Su Wei, Zeng Rong, Zhang Yi. The Radial Expectation Values for Ground Neutral Atom (Z=2-54)[J]. Acta Physico-Chimica Sinica, ;1999, 15(05): 443-448. doi: 10.3866/PKU.WHXB19990511 shu

The Radial Expectation Values for Ground Neutral Atom (Z=2-54)

1.
Department of Chemistry,University of Science Technology of China,Hefei 230026

Received Date: 15 June 1998
Available Online: 15 May 1999

The accurate radial expectation values are important for the study of atom and molecular properties. In this paper, a STO set calculated by Roothaan-Hataee-Fork method was used to design systematically the data base of the radial expectation values of the ground neutral atoms and their orbits (Z=2-54). The values are in well agreement with the results calculated with other methods.
- Roothaan-Hartree-Fock wave function,
- Radial expectation values of atoms and atonic orbits
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