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Diagrammatic evaluation of the density operator for nonlinear optical calculations

✍ Scribed by S.Y. Yee; T.K. Gustafson; S.A.J. Druet; J.-P.E. Taran

Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
463 KB
Volume
23
Category
Article
ISSN
0030-4018

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Quick scheme for evaluation of atomic ch
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✍ A. V. Larin; W. J. Mortier; D. P. Vercauteren πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 526 KB

## 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