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Hydrogenoid orbitals revisited: From Slater orbitals to Coulomb Sturmians#

โœ Scribed by DANILO CALDERINI, SIMONETTA CAVALLI, CECILIA COLETTI, GAIA GROSSI, VINCENZO AQUILANTI


Book ID
113094165
Publisher
Indian Academy of Sciences,Royal Society of Chemistry
Year
2012
Tongue
English
Weight
149 KB
Volume
124
Category
Article
ISSN
0253-4134

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๐Ÿ“œ SIMILAR VOLUMES


Even-tempered slater-type orbitals revis
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## Abstract Evenโ€tempered Slaterโ€type orbital basis sets were developed in 1973, based on total atomic energy optimization. Here, we revisit ET STOs and propose new sets based on past experience and recent computational studies. From preliminary atomic and molecular tests, these sets are shown to b

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