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The ionization conjecture in Thomas-Fermi-Dirac-von Weizsäcker theory
(Wiley, 2018)
We prove that in Thomas-Fermi-Dirac-von Weizsacker theory, a nucleus of charge Z>0 can bind at most Z+C electrons, where C is a universal constant. This result is obtained through a comparison with Thomas-Fermi theory ...
Field effect in molecule-gated switches and the role of target-to-receptor size ratio in biosensor sensitivity
(2019-02-15)
We demonstrated here that molecular redox films are electrochemical capacitive devices possessing specific field effect in which molecular moieties within films act as sensitive gates. We confirm that the field effect ...
Cálculos teóricos e computacionais de estrutura eletrônica
(Universidade Federal de Minas GeraisUFMG, 2018-07-17)
In the present dissertation, some methods used in electronic structure calculations are discussed together with examples of applications. In Chapter 1, we start with the Hartree-Fock-Roothaan method deducing the equations ...
Finite temperature correction to the Thomas-Fermi approximation for a Bose-Einstein condensate: comparison between theory and experiment
(IOP PUBLISHING LTD, 2009)
We observe experimentally a deviation of the radius of a Bose-Einstein condensate from the standard Thomas-Fermi prediction, after free expansion, as a function of temperature. A modified Hartree-Fock model is used to ...
The Thomas-Fermi-Scott-Schwinger expansion and the Schrödinger ground state energy of complex neutral atoms
(1982-01-01)
The large Z Thomas-Fermi-Scott-Schwinger expansion for the total nonrelativistic binding energy of a neutral atom is used, together with the Bohr energy formula valid at Z = 1, to construct various Padé approximants among ...
Estimación variaciónal del potencial químico en el modelo de thomas-fermi.
(1998)
Desde los primeros dias de la mecánica cuántica fue necesario desarrollar
métodos aproximados que permitieran abordar cuantitativamente problemas que
involucraran muchas partículas, pensemos por ejemplo en física atómica. ...