Correction of finite size errors in many-body electronic structure calculations
Electronic structure calculations using simulation cells for extended systems typically incorporate periodic boundary conditions as an attempt to mimic the real system with a practically infinite number of particles. Periodic boundary conditions introduce unphysical constraints that give rise to fin...
| Main Author: | |
|---|---|
| Format: | Others |
| Language: | English |
| Published: |
W&M ScholarWorks
2008
|
| Subjects: | |
| Online Access: | https://scholarworks.wm.edu/etd/1539623524 https://scholarworks.wm.edu/cgi/viewcontent.cgi?article=3315&context=etd |