要旨

Evaluation of molecular properties of excited states is challenging as the lifetime of the excited states is very less thus demanding high level experimental probing to be complemented with highly correlated theory. Here, we report dipole moments of excited states of water and ozone using Fock space multi-reference coupled-cluster analytic reponse approach.

ABSTRACT

Evaluation of molecular properties of excited states is challenging as the lifetime of the excited states is very less thus demanding high level experimental probing to be complemented with highly correlated theory. Here, we report dipole moments of excited states of water and ozone using Fock space multi-reference coupled-cluster analytic reponse approach.