Dimensional Scaling for Electronic Structure (Physics)

建议将维度标度处理扩展到多电子原子和分子，通过重塑传统的电子结构计算来包含在维度D 1和无穷大的限制下可精确计算的性质。在双电子原子中，这样的处理导致精确的电子能量，从这个角度来看，传统方法的糟糕表现主要是由于不符合尺寸限制。关联能量在逆维中几乎是线性的；Hatree-Fock处理可以被修改为在无限维极限中变得精确，并且在三维情况下这种修改占据了关联能量的大部分。

It is proposed to extend a dimensional scaling treatment to multielectron atoms and molecules, by recasting conventional electronic structure calculations to incorporate the properties exactly calculable in limits of dimension D one and infinity. In the two electron atom such a treatment leads to accurate electronic energies, and from this perspective the poor performance of conventional methods is chiefly due to failure to conform to the dimensional limits. Correlation energy is nearly linear in inverse dimension; the Hatree-Fock treatment can be modified to become exact in the infinite dimension limit and this modification accounts for most of the correlation energy in the three dimensional case.