The potential harmonic expansion method (Q2266177): Difference between revisions

The object of the paper is to provide a method for solving the Schrödinger equation \[ \{(-\hslash /2m)\sum^{A}_{i=1}\nabla^ 2_{x_ i}+\sum_{j>i}V(r_{ij})-E\}\psi (x)=0 \] for a system of A identical particles, where x stands for the set of coordinates \(x_ i\) of the particles, \(r_{ij}=x_ i-x_ j\), and \(V(r_{ij})\) is a two- body interaction. For this purpose the author obtains a normalized basis \(Y_{[L]}(\Omega)\) of hyperspherical harmonics in \(D=3N\) variables, \(N=A-1\), which are products of 3-dimensional spherical harmonics and of a function related to Jacobi polynomials, where [L] is the system of N orbital quantum numbers \(\ell_ 1,...,\ell_ N\), N azimuthal quantum numbers \(m_ 1,...,m_ N\) and N-1 hyperspherical quantum numbers \(L_ 2,...,L_ N\), the last one being the grand orbital quantum number L. The wave-function has the expansion \[ \psi (\xi)=r^{-(D- 1)}\sum_{[L]}Y_{[L]}(\Omega)u_{[L]}(r), \] where the \(u_{[L]}(r)\) satisfy the infinite set of second-order coupled differential equations \[ (-d^ 2/dr^ 2+{\mathfrak L}_ K({\mathfrak L}_ K+1)/r^ 2+E)u_ K+\sum_{K}U_ K^{K'}(r)u_{K'}(r)=0, \] where \({\mathfrak L}_ K=2K+(D-3)\). To truncate the system, the author introduces a subset \(\{P^{\ell,m}_{2K+\ell}(\Omega_{ij})\}\) of the basis \(\{Y_{[L]}(\Omega)\}\), called the potential basis, consisting of those hyperspherical harmonics which occur in the expansions of functions of \(r_{ij}\), in particular of \(V(r_{ij})\). He retains only so-called optimal subset which consists of those harmonics which are obtained from the lowest order term in the expansion of the ground state by applying to it the potential operator V(\(\xi)\). For bosons the lowest order term is the constant term, but for fermions the lowest order term is not of order zero because of the Pauli exclusion principle. Using the kinematic rotation vector z(\(\phi)\) and the expansion of the plane wave \(e^{ik\cdot z(\phi)}\) into potential harmonics, the author obtains relations between the polynomials \(P^{\ell,m}_{2K+\ell}(\Omega)\), which are then used to calculate the elements of the matrix \((U_ K^{K'}(r))\). Some applications and numerical examples are given.