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The solutions of the Schrödinger equation in polar coordinates in vacuum are thus labelled by three quantum numbers: discrete indices ℓ and m, and k varying continuously in [,): = (,) These solutions represent states of definite angular momentum, rather than of definite (linear) momentum, which are provided by plane waves ().
Solving the equation by separation of variables means seeking a solution of the form of a product of spatial and temporal parts [18] (,) = (), where () is a function of all the spatial coordinate(s) of the particle(s) constituting the system only, and () is a function of time only.
The case of a particle in a one-dimensional ring is an instructive example when studying the quantization of angular momentum for, say, an electron orbiting the nucleus. The azimuthal wave functions in that case are identical to the energy eigenfunctions of the particle on a ring.
The main effort in this approximate solution of the nuclear motion Schrödinger equation is the computation of the Hessian F of V and its diagonalization. This approximation to the nuclear motion problem, described in 3 N mass-weighted Cartesian coordinates, became standard in quantum chemistry , since the days (1980s-1990s) that algorithms for ...
which is an eigenvalue equation. Very often, only numerical solutions to the Schrödinger equation can be found for a given physical system and its associated potential energy. However, there exists a subset of physical systems for which the form of the eigenfunctions and their associated energies, or eigenvalues, can be found.
The Hamiltonian of the particle is: ^ = ^ + ^ = ^ + ^, where m is the particle's mass, k is the force constant, = / is the angular frequency of the oscillator, ^ is the position operator (given by x in the coordinate basis), and ^ is the momentum operator (given by ^ = / in the coordinate basis).
Let (x, y, z) be the standard Cartesian coordinates, and (ρ, θ, φ) the spherical coordinates, with θ the angle measured away from the +Z axis (as , see conventions in spherical coordinates). As φ has a range of 360° the same considerations as in polar (2 dimensional) coordinates apply whenever an arctangent of it is taken. θ has a range ...
Furthermore, a change of variables t = cos θ transforms this equation into the Legendre equation, whose solution is a multiple of the associated Legendre polynomial P m ℓ (cos θ). Finally, the equation for R has solutions of the form R(r) = A r ℓ + B r −ℓ − 1; requiring the solution to be regular throughout R 3 forces B = 0. [3]