Eur. Phys. J. D 61, 551-561 (2011)
https://doi.org/10.1140/epjd/e2010-10390-9

Quantum fluid dynamics based current-density functional study of a helium atom in a strong time-dependent magnetic field

Quantum Chemistry Group, Department of Chemistry and Centre of Advanced Studies in Chemistry, Panjab University, 160014 Chandigrah, India

Corresponding author: ^a qlabspu@pu.ac.in

Received: 9 July 2010
Revised: 15 September 2010
Published online: 14 January 2011

Abstract

Evolution of the helium atom in a strong time-dependent (TD) magnetic field (B) of strength up to 10¹¹ G is investigated through a quantum fluid dynamics (QFD) based current-density functional theory (CDFT). The TD-QFD-CDFT computations are performed through numerical solution of a single generalized nonlinear Schrödinger equation employing vector exchange-correlation potentials and scalar exchange-correlation density functionals that depend both on the electronic charge-density and the current-density. The results are compared with that obtained from a B-TD-QFD-DFT approach (based on conventional TD-DFT) under similar numerical constraints but employing only scalar exchange-correlation potential dependent on electronic charge-density only. The B-TD-QFD-DFT approach, at a particular TD magnetic field-strength, yields electronic charge- and current-densities as well as exchange-correlation potential resembling with that obtained from the time-independent studies involving static (time-independent) magnetic fields. However, TD-QFD-CDFT electronic charge- and current-densities along with the exchange-correlation potential and energy differ significantly from that obtained using B-TD-QFD-DFT approach, particularly at field-strengths >10⁹ G, representing dynamical effects of a TD field. The work concludes that when a helium atom is subjected to a strong TD magnetic field of order >10⁹ G, the conventional TD-DFT based approach differs “dynamically” from the CDFT based approach under similar computational constraints.