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math-ph2021
The maximal negative ion of molecules in Schrödinger, Hartree-Fock, and Müller theories
Yukimi Goto
Bounds are studied for the maximum number, , of electrons that can be bound to atoms of the total nuclear charge . It is proved that $N_c < \min\{2Z+1, 1.22Z + 3Z^{1/3}…
math-ph2021★ 1 cited
Born-Oppenheimer potential energy surfaces for Kohn-Sham models in the local density approximation
Yukimi Goto
We show that the Born-Oppenheimer potential energy surface in Kohn-Sham theory behaves like the corresponding one in Thomas-Fermi theory up to for small nuclear separat…