On-top conditional correlation functions of many-electron theory are rearranged into a set of correlon quasiparticles representing the local effect of electron correlation in the ground and excited states. An individual correlon is characterized with a one-particle wave function, the imaginary part of which (or covalent correlon) gives the amplitude of the on-top depletion of the (conditional electron) charge (ODC) due to (strong) electron correlation. In its turn, the real part (ionic correlon) gives the amplitude of the on-top accumulation of the (electron) charge (OAC) due to the ionic squeezing of electrons. The proposed correlon theory is applied to analyze the local correlation effects in the ground and first excited states of the hydrogen molecule as well as of the equidistant and alternate linear hydrogen chains from ${\mathrm{H}}_4$ to ${\mathrm{H}}_{12}$. The covalent and ionic correlons obtained at the multiconfigurational self-consistent-field level of correlated functions are demonstrated to be the robust descriptors of the covalency of the ground and the ionicity of the excited ${\mathrm{H}}_n$ states.

中文翻译：

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用Correlon准粒子对地上电子相关性和激发的多电子态进行通用的顶置描述

多电子理论的顶部条件相关函数被重新排列为一组代表基态和激发态中电子相关的局部效应的Correlon准粒子。单个correlon的特征是具有单粒子波函数，其虚部（或共价correlon）给出了由于（强）电子相关性导致（条件电子）电荷（ODC）的顶部耗尽的幅度。反过来，由于电子的离子压缩，实数部分（离子Correlon）给出了（电子）电荷（OAC）的顶部积累的幅度。提出的Correlon理论被用于分析氢分子以及等距和交替线性氢链中基态和初激发态的局部相关效应。${\mathrm{H}}_4$ 至 ${\mathrm{H}}_{12}$。在相关功能的多构型自洽场水平上获得的共价和离子相关被证明是地面的共价性和被激发离子的强健描述子。${\mathrm{H}}_{ñ}$ 状态。