Explicitly correlated Gaussian functions with $ ; exp( -P62) factors have been used in variational calculations of the ground state of the helium atom. Additional correlation factors in the form of even powers of rii were introduced to the Gaussian functions with exponential correlation components b
The correlation-function potential-harmonic and generalized Laguerre function calculation on the 1S states of the helium atom
β Scribed by Yixuan Wang; Conghao Deng
- Book ID
- 107943042
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 580 KB
- Volume
- 206
- Category
- Article
- ISSN
- 0301-0104
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## Abstract Explicitly correlated Gaussian functions have been used in variational calculations on the ground state of the helium atom. The major problem of this application, as well as in other applications of the explicitly correlated Gaussian functions to compute electronic energies of atoms and
The density difference ED, defined as the difference between the exact and the Hertree-Fock radial density functions is reported for the 23S and the 2 'S exerted states of the helium atom. The density differences in both eeses resemble the inverse of the helium grow&state density drfference, but are