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Linear Approximation of Basis Set Orbital Exponents for Isoelectronic Series of Atoms

✍ Scribed by Yu. B. Malykhanov; V. V. Meshkov


Book ID
111594638
Publisher
SP MAIK Nauka/Interperiodica
Year
2004
Tongue
English
Weight
60 KB
Volume
45
Category
Article
ISSN
0022-4766

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πŸ“œ SIMILAR VOLUMES


An approximation for gaussian d-orbital
✍ I. Absar; J.R. Van Wazer πŸ“‚ Article πŸ“… 1971 πŸ› Elsevier Science 🌐 English βš– 299 KB

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 Ia

Single-exponent Slater function expansio
✍ J.M. GarcΓ­a dela Vega; B. Miguel πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 31 KB

Two of the exponents reported in table 2 (p. 272) have been interchanged in our calculations. Thus, the coefficients and virial coefficients do not give a minimum of energy. The optimized values for k= 2 and k= 4 are here given in table .