Gaussian Approximations to 1s Slater-Type Orbitals

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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.
Permanent Citation
"Gaussian Approximations to 1s Slater-Type Orbitals"
http://demonstrations.wolfram.com/GaussianApproximationsTo1sSlaterTypeOrbitals/
Wolfram Demonstrations Project
Published: March 7 2011