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AndySAnker authored Sep 18, 2023
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Expand Up @@ -118,6 +118,17 @@ @article{Waasmaier:sh0059
abstract = {New analytical X-ray scattering-factor representations valid for the full range of sin {$\Theta$}/{$\lambda$} from 0.0 to 6.0{\AA}${\sp {$-$}1}$ have been developed from fits of a linear combination of five Gaussians to the values of the scattering factors tabulated in {\it International Tables for Crystallography} (1992) [Vol. C. Dordrecht: Kluwer Academic Publishers]. The resulting functions for both neutral atoms and ions are compared with the existing parametrizations, which are applicable for 0.0{--}2.0{\AA}${\sp {$-$}1}$ and 2.0{--}6.0{\AA}${\sp {$-$}1}$, respectively. The quality of the new parametrization involving 11 parameters per atom (ion) compares well with the previous work or is even superior. Examples are discussed, some errors in {\it International Tables for Crystallography}, Vol. C are indicated and a warning is given that most of the previously published four Gaussian expansions for ions are inadequate for calculations involving sin {$\Theta$}/{$\lambda$} {$\ge$} 2.0{\AA}${\sp {$-$}1}$.},
}

@article{GHEDIRA1977423,
title = {Structural aspects of the metal-insulator transitions in V0.985Al0.015O2},
journal = {Journal of Solid State Chemistry},
volume = {22},
number = {4},
pages = {423-438},
year = {1977},
issn = {0022-4596},
doi = {https://doi.org/10.1016/0022-4596(77)90020-2},
url = {https://www.sciencedirect.com/science/article/pii/0022459677900202},
author = {M. Ghedira and H. Vincent and M. Marezio and J.C. Launay}}

@misc{NVIDIA, url={https://resources.nvidia.com/en-us-grace-cpu/grace-hopper-superchip}, journal={NVIDIA}, author={NVIDIA}, year={2023}}
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