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arXiv · 1312.2446

Extension of the correlated Gaussian hyperspherical method to more particles and dimensions

Kevin M. Daily·Chris H. Greene
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Abstract

The solution of the hyperangular Schrödinger equation for few-body systems using a basis of explicitly correlated Gaussians remains numerically challenging. This is in part due to the number of basis functions needed as the system size grows, but also due to the fact that the number of numerical integrations increases with the number of hyperangular degrees of freedom. This paper shows that the latter challenge is no more. Using a delta function to fix the hyperradius $R$, all matrix element calculations are reduced to a single numerical integration regardless of system size $n$ or number of dimensions $d$. In the special case of $d$ an even number, the matrix elements of the noninteracting system are fully analytical. We demonstrate the use of the new matrix elements for the 3-, 4-, and 5-body electron-positron systems with zero total angular momentum $L$, positive parity $π$, and varied spins $S_+$ and $S_-$.

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Kevin M. Daily, Chris H. Greene. 2013-12-09. Extension of the correlated Gaussian hyperspherical method to more particles and dimensions. https://doi.org/10.1103/physreva.89.012503

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