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JCC
2006
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JCC 2006
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Starting SCF calculations by superposition of atomic densities
15 years 3 months ago
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www.public.iastate.edu
: We describe the procedure to start an SCF calculation of the general type from a sum of atomic electron densities, as implemented in GAMESS-UK. Although the procedure is well kno...
J. H. Van Lenthe, R. Zwaans, Huub J. J. Van Dam, M...
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