Periodic boundary conditions inab initiocalculations
Author:
Publisher
American Physical Society (APS)
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.51.4014/fulltext
Reference15 articles.
1. Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradients
2. A test of the utility of plane-waves for the study of molecules from first principles
3. The energy and elastic dipole tensor of defects in ionic crystals calculated by the supercell method
4. Die Berechnung optischer und elektrostatischer Gitterpotentiale
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