Kinetic effects in 2D and 3D Quantum Dots: Comparison between high and low electron correlation regimes

Publication date: Available online 4 June 2018 Source:Computational and Theoretical Chemistry Author(s): Marlina Slamet, Viraht Sahni Kinetic related ground state properties of a two-electron 2D quantum dot in a magnetic field and a 3D quantum dot (Hooke’s atom) are compared in the Wigner high (HEC) and low (LEC) electron correlation regimes. The HEC regime corresponds to low densities sufficient for the creation of a Wigner molecule. The LEC regime densities are similar to those of natural atoms and molecules. The results are determined employing exact closed-form analytical solutions of the Schrödinger-Pauli and Schrödinger equations, respectively. The properties studied are the local and nonlocal quantal sources of the density and the single particle density matrix; the kinetic energy density; the kinetic ‘force’ and its divergence; the kinetic field; and the kinetic energy. The correlation-kinetic energy is obtained by mapping the 2D and 3D quantum dots via quantal density functional theory to systems of noninteracting fermions possessing the same density and physical current density for the former, and the same density for the latter. A key observation is that the structure of the 2D and 3D system properties within a specific electron correlation regime are similar. The quantal compression of the kinetic energy density about the center of the quantum dots in the HEC regime, and the quantal decompression away from the center in the LEC regime is explained via ...

Source: Computational and Theoretical Chemistry - June 5, 2018 Category: Chemistry Source Type: research