Improved upper bounds for the atomic ionization potential
نویسندگان
چکیده
منابع مشابه
Improved Upper Bounds for the Atomic Ionization Potential
Two sets of rigorous upper bounds on the atomic ionization potential are derived from some known inequalities of the classical analysis. The first set of bounds are expressed in terms of radial expectation values of the electron density; they improve previously found bounds of the same kind and converge to the exact ionization potential. The other bounds depend on various atomic density functio...
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ژورنال
عنوان ژورنال: International Journal of Quantum Chemistry
سال: 1999
ISSN: 0020-7608,1097-461X
DOI: 10.1002/(sici)1097-461x(1999)71:2<185::aid-qua7>3.0.co;2-