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The linked-cluster theorem in the open-shell coupled-cluster theory for incomplete model spaces

โœ Scribed by Debashis Mukherjee


Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
666 KB
Volume
125
Category
Article
ISSN
0009-2614

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โœฆ 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.


๐Ÿ“œ SIMILAR VOLUMES


The eigenvalue-independent partitioning
โœ D. Sinha; S.K. Mukhopadhyay; R. Chaudhuri; D. Mukherjee ๐Ÿ“‚ Article ๐Ÿ“… 1989 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 524 KB

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