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The violation of the Hund rule in semiconductor artificial atoms
(2004)
The unrestricted Pople–Nesbet approach for real atoms is adapted to quantum dots under applied magnetic field. Gaussian basis sets are used instead of the exact single-particle orbitals in the construction of the appropriated ...
Restricted and unrestricted Hartree–Fock approaches applied to spherical quantum dots in a magnetic field
(2006)
The Roothaan and Pople–Nesbet approaches for real atoms are adapted to quantum dots in the presence of a magnetic field. Single-particle Gaussian basis sets are constructed, for each dot radius, under the condition of ...
Inelastic electron excitation of transition metal atoms and Kondo resonances
(Elsevier Academic Press Inc, 2019-01)
An ionic Hamiltonian based on the first Hund rule applied to transition metal atoms is reviewed and discussed in detail. The tunneling current between a STM-tip and a transition metal atom is analyzed by means of that ...
Orbital-selective bad metals due to Hund’s rule and orbital anisotropy: A finite-temperature slave-spin treatment of the two-band Hubbard model
(American Physical Society, 2019-11)
We study the finiteerature properties of the half-filled two-band Hubbard model in the presence of Hund's rule coupling and orbital anisotropy. We use the mean-field treatment of the Z2 slave-spin theory with a finiteerature ...
On the nature of the Mott transition in multiorbital systems
(American Physical Society, 2017-02)
We analyze the nature of a Mott metal-insulator transition in multiorbital systems using dynamical mean-field theory. The auxiliary multiorbital quantum impurity problem is solved using continuous-time quantum Monte Carlo ...
La relación entre química y física: isomerismo óptico y la paradoja de Hund
(Revista Colombiana de Filosofía de la Ciencia, 2013-01-01)
En el presente trabajo abordamos el problema de la relación entre química y física focalizándonos en la cuestión del isomerismo óptico y la llamada ‘paradoja de Hund’, que apunta a la dificultad de dar cuenta ...