Comparison of hyperfine properties of halosilanes by two different cluster procedures

B. Lindgren; N. Sahoo; S. B. Sulaiman; T. P. Das

doi:10.1007/BF02407599

Comparison of hyperfine properties of halosilanes by two different cluster procedures

B. Lindgren, N. Sahoo, S. B. Sulaiman, T. P. Das

Research output: Contribution to journal › Article › peer-review

Abstract

For purposes of comparison of the accuracies of the Hartree-Fock Cluster and Discrete Variational Method Cluster procedures currently in use for investigation of hyperfine properties of solid state systems, we have studied by both procedures the nuclear quadrupole interactions and silicon-halogen bond distances in the monohalosilane systems SiH₃X(X=F, Cl, Br and I). Very good agreement is found between the results by the two procedures and with experiment.

Original language	English (US)
Pages (from-to)	1189-1192
Number of pages	4
Journal	Hyperfine Interactions
Volume	61
Issue number	1-4
DOIs	https://doi.org/10.1007/BF02407599
State	Published - Aug 1990
Externally published	Yes

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Nuclear and High Energy Physics
Condensed Matter Physics
Physical and Theoretical Chemistry

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10.1007/BF02407599

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title = "Comparison of hyperfine properties of halosilanes by two different cluster procedures",

abstract = "For purposes of comparison of the accuracies of the Hartree-Fock Cluster and Discrete Variational Method Cluster procedures currently in use for investigation of hyperfine properties of solid state systems, we have studied by both procedures the nuclear quadrupole interactions and silicon-halogen bond distances in the monohalosilane systems SiH3X(X=F, Cl, Br and I). Very good agreement is found between the results by the two procedures and with experiment.",

author = "B. Lindgren and N. Sahoo and Sulaiman, {S. B.} and Das, {T. P.}",

year = "1990",

month = aug,

doi = "10.1007/BF02407599",

language = "English (US)",

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T1 - Comparison of hyperfine properties of halosilanes by two different cluster procedures

AU - Lindgren, B.

AU - Sahoo, N.

AU - Sulaiman, S. B.

AU - Das, T. P.

PY - 1990/8

Y1 - 1990/8

N2 - For purposes of comparison of the accuracies of the Hartree-Fock Cluster and Discrete Variational Method Cluster procedures currently in use for investigation of hyperfine properties of solid state systems, we have studied by both procedures the nuclear quadrupole interactions and silicon-halogen bond distances in the monohalosilane systems SiH3X(X=F, Cl, Br and I). Very good agreement is found between the results by the two procedures and with experiment.

AB - For purposes of comparison of the accuracies of the Hartree-Fock Cluster and Discrete Variational Method Cluster procedures currently in use for investigation of hyperfine properties of solid state systems, we have studied by both procedures the nuclear quadrupole interactions and silicon-halogen bond distances in the monohalosilane systems SiH3X(X=F, Cl, Br and I). Very good agreement is found between the results by the two procedures and with experiment.

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ER -

Comparison of hyperfine properties of halosilanes by two different cluster procedures

Abstract

ASJC Scopus subject areas

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