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Study of Compton profiles using Gaussian expansions of atomic orbitals

✍ Scribed by Sharma, B S; Tripathi, A N

Book ID
125996991
Publisher
Institute of Physics
Year
1979
Tongue
English
Weight
516 KB
Volume
12
Category
Article
ISSN
0022-3700

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## Abstract Three exact Slater‐type function (STO) integral transforms are presented. The STO‐NG basis set can then be developed using either only 1s Gaussian functions, the same Gaussian exponents for each shell, or using the first Gaussian of each symmetry. The use of any of these three alternati

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Electronic momentum distributions and Compton profGes have been caieutated for a number of small pofyatomic molecuies in the STONG (N=3,4,5,6) approsimation. The gaussian expansions converge rapidly and give acceptable approximations to the corresponding ST0 values for most momentum space properties