fractional electron charge


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Dear All,
Do anyone have an idea what will be the input file for fractional electron charge. For example C atom with 5.2 electron charge ??

Forum Regular
Just to be clear, you can't have a fraction of an electron since it is treated as a quantum particle and its charge is discrete. But you can specify any nuclear charge you would like since they are treated as classical particles and their charge is continuous. For more details see

http://nwchemgit.github.io/Special_AWCforum/st/id1668/Partial_charges_on_the_atom....


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