An attempt has been made to understand the structure of the Clifford algebra unitary group adapted many-particle states from the conventional symmetric group point of view. Emphasizing the symmetric group result that the consideration of the spin-independent Hamiltonian matrix over the many-particle
On a general system-partitioning in the many-electron correlation problem
โ Scribed by Atri Mukhopadhyay
- Publisher
- John Wiley and Sons
- Year
- 1996
- Tongue
- English
- Weight
- 755 KB
- Volume
- 60
- Category
- Article
- ISSN
- 0020-7608
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โฆ Synopsis
General system partitioning in the many-electron correlation problem for atomic and molecular systems is addressed within the spinshift formalism. The conventional method of the unitary group subduction coefficient expansion is reconsidered in the latter framework and an orbital-level factorization of the coefficients is obtained. "Groupspinshifts" are introduced and exploited to propose an alternative method of generating states adapted to arbitrary subduction chains.
๐ SIMILAR VOLUMES
Oneand &o-center expzndons of I/r,, in terms of one-electron variables can be partitioned into a constant km, oneelectron terms and two-electron terms. Preliminary calculations for light atoms and for the hydrogen molecule show that the orx-clcctron terms (including the constat) contribute most of t
The problem of deciding whWt of three equivalent forms of ekcrric dipok transition probabZ!ities is tl?e most "proper" or "accurate" to us-e, has been discussed in secant prtpe,s from vzuious potits of view. Here we examine this question and also cer!in conditions which haye to be saWied far the thr
Group theoretic methods are presented for the transformations of integrals and the evaluation of matrix elements encountered in multiconfigurational self-consistent field (MCSCF) and configuration interaction (CI) calculations. The method has the advantages of needing only to deal with a symmetry un