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Interpretation ofab initiototal energy results in a chemical language I Formalism and implementation into a mixed-basis pseudopotential code
Author(s):
G. BESTER
,
M Fähnle
Publication date:
2001
Journal:
J. Phys.: Condens. Matter
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Scientific Ocean Drilling Expedition Research Results
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DOI::
10.1088/0953-8984/13/50/313
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