RESEARCH PAPER · Journal of Molecular Structure THEOCHEM · 2010
Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation
Victor Milman, Keith Refson, Stewart J. Clark, Chris J. Pickard, Jonathan R. Yates, Shang‐Peng Gao, Philip J. Hasnip, Matt I. J. Probert, A. Ya. Perlov, Matthew Segall
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