Monday, September 13, 2021

Gaussian Approximations to 1s Slater-Type Orbitals

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α
2


α
3



0
1
2
3
4
5
r
0.1
0.2
0.3
0.4
0.5
0.6
0.7
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Contributed by: S. M. Blinder (March 2011)
Open content licensed under CC BY-NC-SA

Snapshots

Details

Snapshot 1: STO-1G orbital, best fit with =0.27

Snapshot 2: RDF for STO-2G, best fit around =0.14, =0.70

Snapshot 3: RDF for STO-3G, best fit around =0.15, =0.50, =2.0

For more information:

S. M. Blinder, Introduction to Quantum Mechanics in Chemistry, Materials Science, and Biology, Burlington, MA: Elsevier Academic Press, 2004 pp. 187–188.

 

https://demonstrations.wolfram.com/GaussianApproximationsTo1sSlaterTypeOrbitals/ 

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