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High sectors in the Fock space coupled-cluster method

โœ Scribed by S.R. Hughes; Uzi Kaldor


Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
437 KB
Volume
194
Category
Article
ISSN
0009-2614

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๐Ÿ“œ SIMILAR VOLUMES


The coupled-cluster method with full inc
โœ S.R. Hughes; Uzi Kaldor ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 370 KB

The coupled-cluster method with singte, double and triple excitations (CCSDT or SUB3) is applied to a system with up to six electrons outside a closed shell. The Ne atom and its ions serve as a test case. Starting from Ne\*+, electrons are added one at a time ah the way to Ne. Ionization potentials

On multiple solutions of the Fock-space
โœ Leszek Meissner ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 534 KB

Intermediate Hamiltonian techniques are used to investigate the problem of multiple solutions of the Fock-space coupled-cluster methods. Two intermediate Hamiitonian schemes are presented, based upon similarity transformations that unlike the wave operator formalism allow for following the complete

Fock-space multireference coupled-cluste
โœ Nayana Vaval; Keya B. Ghose; Sourav Pal; Debashis Mukherjee ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 493 KB

We propose a highly correlated scheme for implementing a Fock-space multireference coupled-cluster theory for computing directly ionization potentials ( IPs). We include all the single and double excitation cluster amplitudes and certain contributions from the triples which contribute at third and f

Complete active space coupled-cluster me
โœ Leszek Z. Stolarczyk ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 471 KB

It is proposed that the calculation of non-dynamical electronic correlation effects by the complete active space self-consistent field (CASSCF) method can be extended by the inclusion of dynamical correlation effects through the use of a suitably modified single-reference coupled-cluster (CC) proced

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

The linked-cluster theorem in the open-s
โœ Debashis Mukherjee ๐Ÿ“‚ Article ๐Ÿ“… 1986 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 666 KB

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