After performing tddft single point calculations at the displaced geometries using 10 excited states and out of those I need to include only the first 7 singlet excited states in my LVC model, while also excluding the ground state. How do I achieve that? Thank you.
After performing tddft single point calculations at the displaced geometries using 10 excited states and out of those I need to include only the first 7 singlet excited states in my LVC model, while also excluding the ground state. How do I achieve that? Thank you.