Complete-active-space SCF and multi-reference configuration interaction calculations employing large Gaussian basis sets of the general contraction type have been carried out to determine the equilibrium structures and relative stabilities of the ground electronic state R 'I& of the acetylene cation
An MCSCF study of the low-lying states of C2H+
โ Scribed by Kenro Hashimoto; Suehiro Iwata; Yoshihiro Osamura
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 426 KB
- Volume
- 174
- Category
- Article
- ISSN
- 0009-2614
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