Electronic excited states in deep variational Monte Carlo
oleh: M. T. Entwistle, Z. Schätzle, P. A. Erdman, J. Hermann, F. Noé
| Format: | Article |
|---|---|
| Diterbitkan: | Nature Portfolio 2023-01-01 |
Deskripsi
Deep neural networks can learn and represent nearly exact electronic ground states. Here, the authors advance this approach to excited states, achieving high accuracy across a range of atoms and molecules, opening up the possibility to model many excited-state processes.