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Ab initio based DMBE potential energy surface for the ground electronic state of the C(2)H molecule. 2010

S Joseph, and A J C Varandas
Departamento de Química, Universidade de Coimbra, 3004-535 Coimbra, Portugal.

We report a single-sheeted potential energy surface for the lowest state of C(2)H using double many-body expansion theory and accurate ab initio data points calculated at MRCI/AVQZ level of theory. The topographical features of the new global potential energy surface are analyzed in detail.

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