Abstract:The photodissociation dynamics of N + 3 excited from its 3 Σ − g ground to the first excited singlet and triplet states is investigated. Three dimensional potential energy surfaces for the 1 A , 1 A , and 3 A electronic states, correlating with the 1 ∆ g and 3 Π u states in linear geometry, for N + 3 are constructed using high level electronic structure calculations and represented as reproducing kernels. The reference ab initio energies are calculated at the MRCI+Q/aug-cc-pVTZ level of theory. For following t… Show more
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