Quantum mechanical virial-like theorem for confined quantum systems

Abstract

Confinement of atoms inside impenetrable (hard) and penetrable (soft) cavities has been studied for nearly eight decades. However, a unified virial theorem for such systems has not yet been found. Here we provide a general virial-like equation in terms of mean square and expectation values of potential and kinetic energy operators. It appears to be applicable in both free and confined situations. Apart from that, we have derived an equation using the time-independent Schr\"odinger equation, which can be treated as a sufficient condition for a given stationary quantum state. A change of boundary condition does not affect these virial equations. In the hard confining condition, the perturbing (confining potential) does not affect the expression; it merely shifts the boundary from infinity to a finite region. In the soft case, on the contrary, the final expression includes contributions from the perturbing term. These are demonstrated numerically for several representative enclosed systems like harmonic oscillators (one-dimensional and three-dimensional) and hydrogen atoms. Its applicability in various other confinements (including angular) has been discussed. In essence, a virial equation has been proposed for free and confined quantum systems, from simple arguments.