Physical nature of the chemical bond. III. A quasi-optimized l.c.G.t.o.-m.o.-s.c.f. wavefunction for the neon hydride ion
Open Access
- 15 December 1968
- journal article
- Published by Canadian Science Publishing in Canadian Journal of Chemistry
- Vol. 46 (24) , 3893-3897
- https://doi.org/10.1139/v68-642
Abstract
Quasi-optimized wavefunctions for the neon hydride positive ion (NeH+) have been obtained for various sizes of basis sets of Gaussian orbitals. The effect of varying the size of basis set and the exponents has been examined.Keywords
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