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Study of unbound HePs using Exact Diagonalization technique

机译:使用精确对角化技术研究未结合的HeP

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The many-body wavefunction of the unbound He-Ps system has been studied by the exact diagonalization of a explicitly correlated gaussians basis optimized by a stochastic variational method. The nucleus-positron distance has been varied by constraining the parameters of the nucleus-positron correlated gaussian term. The constraining technique allows to describe He and Ps interacting at different distances. The calculated wavefunction can be approximated as composed by weakly perturbed He and Ps atoms. The electron forming the Ps tends to be farther from the nucleus than the positron due to the strong electron-electron Pauli repulsion with the electrons of He. The described technique gives accurate energy and wave functions for Ps interacting with atoms that can be used to calculate the interaction potential of Ps with molecular matter.
机译:通过使用随机变分方法优化的显式相关高斯基的精确对角化,研究了无约束He-Ps系统的多体波函数。通过限制与核-正电子相关的高斯项的参数来改变核-正电子的距离。约束技术允许描述He和Ps在不同距离处的相互作用。所计算的波函数可以近似地由弱扰动的He和Ps原子组成。形成Ps的电子倾向于比正电子离原子核更远,这是因为He对电子的强烈电子电子Pauli排斥作用。所描述的技术为Ps与原子相互作用提供了准确的能量和波函数,可用于计算Ps与分子物质的相互作用势。

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