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Electric properties of the azide ion calculated with a systematic sequence of Gaussian-type basis sets

โœ Scribed by George Maroulis; Agesilaos Hatzis; Anastasios Haskopoulos


Book ID
108088732
Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
165 KB
Volume
323
Category
Article
ISSN
0301-0104

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Relativistic Gaussian basis set calculat
โœ Yasuyuki Ishikawa; Reinaldo Baretty; R.C. Binning Jr. ๐Ÿ“‚ Article ๐Ÿ“… 1985 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 264 KB

The disadvantages of using Gaussian funcrions (GTOs) in SCF eleerronic su-ucIurc calculations are well known. The difricultics associated with Gaussians arc likely IO be more scvcrc-in relalivistic Dirac-Foek calculations. Relnlivistic eKee~ are impormm Tar core elcewms. whereas GTOs give a poor des