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Accurate ab initio quartic force fields for the ions HCO+ and HOC+

โœ Scribed by Martin, J. M. L.; Taylor, Peter R.; Lee, Timothy J.

Book ID
126935912
Publisher
American Institute of Physics
Year
1993
Tongue
English
Weight
722 KB
Volume
99
Category
Article
ISSN
0021-9606

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The quartic force fields of the \(\mathrm{H}_{2} \mathrm{~S}, \mathrm{CS}_{2}, \mathrm{OCS}\), and \(\mathrm{CS}\) molecules have been computed using the \(\operatorname{CCSD}(\mathrm{T})\) augmented coupled cluster method and \(s p d f\) and spdfg basis sets. Neglect of core correlation results in