Møller-Plesset绝热联系的大耦合强度展开：从典型情况到主要项的变分表达式
Large coupling-strength expansion of the Møller-Plesset adiabatic connection: From paradigmatic cases to variational expressions for the leading terms
摘要：
我们详细研究的前三个主导项的大耦合强度极限的绝热连接，具有弱相互作用膨胀的Møller-Plesset微扰理论。我们首先专注于H原子，无论是在自旋极化和自旋非极化的情况下，报告的数值和分析结果。特别是，我们推导出一个渐近方程，原来有简单的分析解决方案，某些渠道。渐近H原子的自旋非极化的情况下的解决方案，然后示出变分优化的多电子自旋限制的封闭壳层的情况下，提供大的耦合强度密度泛函的表达式到第三个领先的顺序。我们还分析了H2分子和均匀电子气。
英文摘要：
We study in detail the first three leading terms of the large coupling-strength limit of the adiabatic connection that has as weak-interaction expansion the Møller-Plesset perturbation theory. We first focus on the H atom, both in the spin-polarized and the spin-unpolarized case, reporting numerical and analytical results. In particular, we derive an asymptotic equation that turns out to have simple analytical solutions for certain channels. The asymptotic H atom solution for the spin-unpolarized case is then shown to be variationally optimal for the many-electron spin-restricted closed-shell case, providing expressions for the large coupling-strength density functionals up to the third leading order. We also analyze the H2 molecule and the uniform electron gas.
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