The linked-cluster theorem in the open-shell coupled-cluster theory for incomplete model spaces
โ Scribed by Debashis Mukherjee
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 666 KB
- Volume
- 125
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
โฆ Synopsis
The linked-cluster theorem (LCT) holds good in open-shell coupled-cluster theory Car incomplete model spaces provided the intermediate normalization condition (IN) for the eigenfunctions is abandoned. The crucial requirement for proving the LCT is the valence u~vers~ty of the wave operator 52. Thus f2 contains not only m-valence operators 3""' for an m-valence problem but also all the lower-vatence s(*) operators to correlate k < m valence problems. LCT is proved using a particular scheme for choosing the s(') operators for which IN does not hold good.
๐ SIMILAR VOLUMES
Our recent open-shell coupled-cluster (CC) theory for incomplete model spaces, having valence holes and valence particles, is cast in an alternative form having computational advantages. An eigenvalue-independent partitioning technique in Fock space converts the CC equations for each m-hole, n-part