纯可表示性问题与电子Fock空间的新模型
Pure Representability Problem and New Models of the Electronic Fock Space
摘要：
介绍了与固定电子数相对应的Fock空间扇区的新模型。这些模型源于可表示性理论，它们的实际实现可能导致中间构型相互作用空间的维数的本质降低。提出了一种零阶理论，它给出的波函数近似等于从Hartree-Fock参考态到q阶的所有激励。简单的数值例子来说明这种方法。
英文摘要：
New models of the Fock space sector corresponding to some fixed number of electrons are introduced. These models originate from the representability theory and their practical implementation may lead to essential reduction of dimensions of intermediate Configuration Interaction spaces. A certain zero-order theory that gives wave functions approximately equivalent to ones obtained by accounting all excitations from the Hartree-Fock reference state up to the q-th order is proposed. Simple numerical examples are given to illustrate the approach.
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