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College Physics

The correct quantum kinetic energy operator for sphericalrotator in 3-dimensional Cartesian coordinates

Tiangui Liu

Published Jan 1, 2004• 0 citations
OpenAlex

Abstract

For a rigid spherical rotator,the correct quantum kinetic energy operator in 3-dimensional (Cartesian) coordinates takes the form 12m∑ix_ixyzp_ixyzx_ip_i where p_i(i=1,2,3) are the hemitian (Cartesian) (momentum) operators expressed in the spherical polar coordinates.

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In quantum mechanics textbooks the momentum operator is defined in the Cartesian coordinates and rarely the form of the momentum operator in spherical polar coordinates is discussed. Consequently one always generalizes the Cartesian prescription to other coordinates and falls in a trap. In this work we introduce the difficulties one faces when the question of the momentum operator in general curvilinear coordinates arises. We have tried to elucidate the points related to the definition of the momentum operator taking spherical polar coordinates as our specimen coordinate system and proposed an elementary method in which we can ascertain the form of the momentum operator in general coordinate systems.
Abstract This chapter treats rotations in three dimensions and the angular momentum quantum mechanically. The angular momentum is a 3-vector that plays the same role in the kinetic energy of rotating particles as the linear momentum 3-vector plays in the kinetic energy for translational motion. The quantum operator for the three components do not commute, i.e. the full vector cannot be known. Each component commutes with the operator for the square-length of the angular momentum vector, and therefore one opts for calculating the square-length and one of the components, z, referred to as the projection. The angular momentum is quantized. The (azimuthal) quantum number ℓ = 0,1,2,3… quantifies the square-length as ℓ(ℓ+1), and the projection is quantified by the (magnbetic) quantum number mℓ = -ℓ…ℓ in integer steps. The eigenfunctions are called spherical harmonics. A ‘rigid rotor’ model is set up to treat the rotational spectrum of a diatomic molecule.
Expressions for the covariant and contravariant components of the quantum momentum operator (h//i) ∇ are formulated for curvilinear coordinates in three-dimensional space. The classical formalism is modified to take account of the noncommutivity of coordinates and momenta in the quantum case. These components are shown to be simply related to canonical momentum operators conjugate to the curvilinear coordinates. Expressions for components of angular momenta are also obtained. These results are specialized for orthogonal curvilinear coordinates and illustrated for spherical polar coordinates.