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A gaussian exponent rule: Z-dependence of optimum gaussian orbital exponents

โœ Scribed by Paul G. Mezey


Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
387 KB
Volume
58
Category
Article
ISSN
0009-2614

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## Abstract The exponent ฮณ in the expression for the partition function __Z__ โ‰… ฮผ^__N__^ ยท __N__^ฮณโˆ’1^ is derived for a Gaussian chain. The method of Ullman is adopted. Results of calculations show that for 1, 2, 3 and 4 dimensions, ฮณ = 1, 1,25, 1,2 and 1, respectively. It is also shown that ฮณ remai