Opin vísindi
→
Browsing by Author

Browsing by Author "Levi, Gianluca"

Now showing items 1-2 of 2

On the interplay of solvent and conformational effects in simulated excited-state dynamics of a copper phenanthroline photosensitizer

Levi, Gianluca; Biasin, Elisa; Dohn, Asmus O.; Jónsson, Hannes (Royal Society of Chemistry (RSC), 2020)

Copper(I) bis-phenanthroline complexes represent Earth-abundant alternatives to ruthenium-based sensitizers for solar energy conversion and photocatalysis. Improved understanding of the solvent- mediated excited-state structural dynamics can help ...
Variational calculations of excited states via direct optimization of the orbitals in DFT

Levi, Gianluca; Ivanov, Aleksei; Jónsson, Hannes (Royal Society of Chemistry (RSC), 2020-06)

A direct optimization method for obtaining excited electronic states using density functionals is presented. It involves selective convergence on saddle points on the energy surface representing the variation of the energy as a function of the electronic ...

Now showing items 1-2 of 2

Search Opin vísindi

Browse

All of Opin vísindi
- Communities & Collections
- Authors
- Titles
- Subjects
- Departments
- School
- DOI
- Journal title

About

My Account