Classical Nuclear Motion: Comparison to Approaches with Quantum Mechanical Nuclear Motion
Ab initio molecular dynamics combines a classical description of nuclear motion with a density-functional description of the electronic cloud. This approach nicely describes chemical reactions. A possible conclusion is that a quantum mechanical description of nuclear motion is not needed. Using Occa...
I tiakina i:
| Kaituhi matua: | |
|---|---|
| Hōputu: | Artigo |
| Reo: | Inglês |
| I whakaputaina: |
MDPI AG
2022-12-01
|
| Rangatū: | Hydrogen |
| Ngā marau: | |
| Urunga tuihono: | https://www.mdpi.com/2673-4141/4/1/2 |
| Ngā Tūtohu: |
Kāore He Tūtohu, Me noho koe te mea tuatahi ki te tūtohu i tēnei pūkete!
|