Range-separated hybrid functionals in full-potential LAPW using adaptively compressed exchange
Abstract The adaptively compressed exchange (ACE) operator is a low-rank representation of the Fock exchange, avoiding any loss of precision. We present an application of this method in the formalism of linearized augmented plane waves (LAPW) to hybrid functionals with range separation. For this pur...
Saved in:
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-08-01
|
| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-025-01733-z |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|