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Recursive evaluation of expectation values for arbitrary states of the relativistic one-electron atom

✍ Scribed by Andrae, Dirk


Book ID
121350750
Publisher
Institute of Physics
Year
1997
Tongue
English
Weight
205 KB
Volume
30
Category
Article
ISSN
0953-4075

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## Abstract It is demonstrated that unique and simple analytical functions are justified for the atomic charge dependences __q__ of the T (T = Al, P) and O atoms of aluminophosphates (AlPOs) using DFT calculations with several basis sets, starting from STO‐3G to 3‐21G and 6‐21G\*\*. Three internal