Random phase approximation with exchange for an accurate description of crystalline polymorphism
We determine the correlation energy of BN, SiO_{2}, and ice polymorphs employing a recently developed random phase approximation with exchange (RPAx) approach. The RPAx provides larger and more accurate polarizabilities as compared to the random phase approximation (RPA), and captures the effects of...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2021-09-01
|
| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/PhysRevResearch.3.033263 |