Kinetic and Exchange Energy Densities near the Nucleus
نویسندگان
چکیده
منابع مشابه
Kinetic and Exchange Energy Densities near the Nucleus
We investigate the behavior of the kinetic and the exchange energy densities near the nuclear cusp of atomic systems. Considering hydrogenic orbitals, we derive analytical expressions near the nucleus, for single shells, as well as in the semiclassical limit of large non-relativistic neutral atoms. We show that a model based on the helium iso-electronic series is very accurate, as also confirme...
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ژورنال
عنوان ژورنال: Computation
سال: 2016
ISSN: 2079-3197
DOI: 10.3390/computation4020019