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Matthew Segall; Philip J. D. Lindan; Matt Probert; Chris J. Pickard; P. J. Hasnip; Stewart J. Clark; M. C. Payne · Journal of Physics Condensed Matter · 2002
First-principles simulation, meaning density-functional theory calculations with plane waves and pseudopotentials, has become a prized technique in condensed-matter theory. Here I look at the basics of the suject, give a...
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