Electronic structure – Light and Molecules

Photochemistry and photophysics

Classification of Doubly Excited Molecular Electronic States

A physically motivated definition of doubly excited character based on density matrices is proposed.

By Mario Barbatti, 2 years ago

Organic photodevices

How Do Excitons’ Size and Density Depend on Heterojunction’s Architecture?

Simulations show how to control charge separation from hot or cold excitons.

By Mario Barbatti, 4 yearsMarch 7, 2021 ago

Organic photodevices

Excitons and Charge Transfer in Tetracene Dimers

Stacked-excimer double excitation is the door for singlet fission.

By Mario Barbatti, 4 yearsJanuary 28, 2021 ago

Review

Multireference Approaches for Excited States of Molecules

Paper reviews multireference methods and applications to molecular excited states.

By Mario Barbatti, 7 yearsJuly 25, 2018 ago