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Accurate Single-Center Expansions Using Slater-Type Orbitals: Hydrogen Molecule

✍ Scribed by Hayes, Edward F.

Book ID: 118253076
Publisher: American Institute of Physics
Year: 1967
Tongue: English
Weight: 555 KB
Volume: 46
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.1840477

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## Abstract Formulas are derived for all Hamiltonian integrals required for molecular computations using a novel basis for single‐center expansions. The basis orbitals depend exponentially upon α(__r__ − ρ)^2^ where __r__ and ρ are the distance from center to electron and to a variationally scaled