Theoretical description of electronic excitations in extended systems: beyond the static material model
The theoretical description of bistable materials requires dealing with the interplay of various phenomena, like temperature, environmental effects and electron correlation. We developed a procedure to combine the benefits of the molecular dynamics techniques with the accuracy of the ab initio wave...
| Main Author: | |
|---|---|
| Other Authors: | |
| Format: | Doctoral Thesis |
| Language: | English |
| Published: |
Universitat Rovira i Virgili
2011
|
| Subjects: | |
| Online Access: | http://hdl.handle.net/10803/51760 |