✦ LIBER ✦
An approximation for gaussian d-orbital exponents of second-row atoms for LCAO MO SCF studies
✍ Scribed by I. Absar; J.R. Van Wazer
- Publisher
- Elsevier Science
- Year
- 1971
- Tongue
- English
- Weight
- 299 KB
- Volume
- 11
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
It is de&onspated that the radius corresponding to the shell of maximum elkron density for molicularly optimized 3d orbitals of a sccond-Iow atom is approximately equal to the same radius for the atom-optimized 3p orbitals. An approximation for expanding a single gnussian derbital exponent into a Iarger set of exponents is aIso offered.
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