Relativistic effective exchange-charge density integral and shell boundaries in Nobelium atom

Abstract

Following the concept of static exchange-correlation charge density, the total integrated exchange-charge density parameter, Q_x, is calculated within the exchange-only, relativistic optimized potential model and employed to examine the atomic shell boundaries in nobelium atom. Six clear maxima in Q_x(r) are shown to reflect all the shell boundaries. A comparison of the Q_x(r) with the non-relativistic calculations reveal interesting differences in the core and valence regions. The radial behavior of Q_x(r) is shown to be extremely sensitive to the details of the relativistic effects.