scholarly journals ATOMS IN THE ANIONIC DOMAIN, Z < N

2013 ◽  
Vol 27 (24) ◽  
pp. 1350178 ◽  
Author(s):  
GABRIEL GIL ◽  
AUGUSTO GONZALEZ

We study atoms with N electrons, and nuclear charge Z. It is well known that the cationic regime, Z > N, is qualitatively described by Thomas–Fermi theory. The anionic regime, Z < N, on the other hand, is characterized by an instability threshold at Zc ≲ N-1, below which the atom spontaneously emits an electron. We compute the slope of the energy curve at Z = N - 1 by means of a simple model that depends on the electron affinity and the covalent radius of the neutral atom with N - 1 electrons. This slope is used in order to estimate Zc, which is compared with previous numerical results. Extrapolation of the linear behavior in the opposite direction, up to Z = N, allows us to estimate the ionization potential of the atom with N electrons. The fact that the obtained ionization potentials are qualitatively correct is an indication that, with regard to certain properties, neutral atoms are closer to the anionic instability threshold than they are to the Thomas–Fermi, large Z, region. A regularized series is written for the ionization potential that fits both, the large Z and Z → Zc limits.

2002 ◽  
Vol 8 (2) ◽  
pp. 135-142 ◽  
Author(s):  
Ravi P. Agarwal ◽  
Donal O'Regan

This paper presents an upper and lower solution theory for boundary value problems modelled from the Thomas–Fermi equation subject to a boundary condition corresponding to the neutral atom with Bohr radius.


2017 ◽  
Vol 95 (2) ◽  
pp. 184-189 ◽  
Author(s):  
Gabriel Gil ◽  
Augusto González

We study N-electron atoms with nuclear charge Z. It is well known that, in the cationic (Z > N) large-Z region, the atom behaves as a weakly interacting system. The anionic (Z < N) regime, on the other hand, is characterized by an instability threshold at [Formula: see text], below which the atom spontaneously emits an electron. We construct a regularized perturbative series (RPS) for the ionization potential that is based on the behaviors for large Z and Z near Zc. The large-Z expansion coefficients are analytically computed from perturbation theory, whereas the slope of the energy curve at Z = N − 1 is computed from a kind of zero-range forces theory that uses as input the electron affinity and the covalent radius of the neutral atom with N − 1 electrons. Relativistic effects in the one-particle Hamiltonian are considered at the level of first-order perturbation theory. Our RPS formula is to be used to check the consistency of the ionization potential values for atomic ions contained in the NIST database.


1998 ◽  
Vol 36 (2) ◽  
pp. 91-103 ◽  
Author(s):  
C. Amovilli ◽  
N. H. March ◽  
T. G. Schmalz ◽  
D. J. Klein

1982 ◽  
Vol 25 (4) ◽  
pp. 2399-2401 ◽  
Author(s):  
Lester L. DeRaad ◽  
Julian Schwinger
Keyword(s):  

1997 ◽  
Vol 55 (4) ◽  
pp. R1641-R1644 ◽  
Author(s):  
J. N. De ◽  
S. Das Gupta ◽  
S. Shlomo ◽  
S. K. Samaddar

2002 ◽  
Vol 90 (1) ◽  
pp. 262-265 ◽  
Author(s):  
R. K. Nesbet
Keyword(s):  

1997 ◽  
Vol 75 (1) ◽  
pp. 77-82 ◽  
Author(s):  
M. Apostol ◽  
F. Rachdi ◽  
C. Goze ◽  
L. Hajji

Sodium (Na) clusters in octahedral cages of Na-intercalated fullerides Na6C60 and Na11C60 are studied within a Thomas–Fermi model. It is shown that the tetrahedral Na4 cluster in Na6C60 has an electric charge ~ +2.7 (in electron charge units), while the body-centered cubic Na9 cluster in Na11C60 is almost electrically neutral. Keywords: sodium clusters, alkali fullerides, Thomas–Fermi theory, ionization charge.


1990 ◽  
Vol 12 (6) ◽  
pp. 749-755
Author(s):  
A. Mañanes ◽  
E. Santos
Keyword(s):  

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