DOI: 10.1135/cccc19881910. The application of inner projection technique to many electron systems as compared with the coupled cluster expansion. A study of the Pariser-Parr-Pople model of the benzene molecule

The application of inner projection technique to many electron systems as compared with the coupled cluster expansion. A study of the Pariser-Parr-Pople model of the benzene molecule

10.1135/cccc19881910

Crossref journal-article

Institute of Organic Chemistry & Biochemistry

Collection of Czechoslovak Chemical Communications (111)

Abstract

The technique of inner projection is used for the first time in a chemical context, namely for the study of the ground state energy of the Pariser-Parr-Pople model of the benzene molecule. The lower bound for the energy is calculated for three types of parametrization. These results are compared with the “exact” energies which are obtained from full configuration interaction. It is shown that the inner projection technique provides very good lower bounds for the energy. In addition, we compare these inner projection results with those obtained by other approximative techniques, namely with the results of the Coupled Pair Many Electron Theory. A discussion of the application of the method of intermediate hamiltonians and the inner projection technique is also included.

Bibliography

ÄÃÅ¾ek, J., & Vinette, F. (1988). The application of inner projection technique to many electron systems as compared with the coupled cluster expansion. A study of the Pariser-Parr-Pople model of the benzene molecule. Collection of Czechoslovak Chemical Communications, 53(9), 1910â1918.

Authors 2

Jiří Čížek (first)
Francine Vinette (additional)

References 0 Referenced 10

None

Dates

Type	When
Created	15 years, 2 months ago (June 15, 2010, 2:25 a.m.)
Deposited	6 years, 11 months ago (Sept. 9, 2018, 11:42 a.m.)
Indexed	1 year, 10 months ago (Oct. 26, 2023, 10:19 p.m.)
Issued	37 years, 7 months ago (Jan. 1, 1988)
Published	37 years, 7 months ago (Jan. 1, 1988)
Published Online	37 years, 7 months ago (Jan. 1, 1988)
Published Print	37 years, 7 months ago (Jan. 1, 1988)

Funders 0

None

BibTeX

@article{_ek_1988, title={The application of inner projection technique to many electron systems as compared with the coupled cluster expansion. A study of the Pariser-Parr-Pople model of the benzene molecule}, volume={53}, ISSN={1212-6950}, url={http://dx.doi.org/10.1135/cccc19881910}, DOI={10.1135/cccc19881910}, number={9}, journal={Collection of Czechoslovak Chemical Communications}, publisher={Institute of Organic Chemistry & Biochemistry}, author={Čížek, Jiří and Vinette, Francine}, year={1988}, pages={1910–1918} }

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