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Ab initio study on the electronic excited states and photodissociation mechanism of bromocarbene molecule

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We used the internally contracted explicitly correlated multireference configuration interaction (icMRCI-F12) method combined with Davidson correction to conduct a high-precision ab initio study of CHBr. The 21 electronic states of... Click to show full abstract

We used the internally contracted explicitly correlated multireference configuration interaction (icMRCI-F12) method combined with Davidson correction to conduct a high-precision ab initio study of CHBr. The 21 electronic states of...

Keywords: excited states; initio study; states photodissociation; electronic excited; study; study electronic

Journal Title: Physical Chemistry Chemical Physics
Year Published: 2023

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