Semiclassical self-consistent-field method for reactive resonances

Bruce C. Garrett; Donald G Truhlar

doi:10.1016/0009-2614(82)83414-3

Semiclassical self-consistent-field method for reactive resonances

Bruce C. Garrett, Donald G Truhlar

Chemistry (Twin Cities)

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

31 Scopus citations

Abstract

We show that the semiclassical SCF method can be used for stabilization calculations of resonances in chemical reactions. We apply it to four mass combinations with an average absolute error of only 0.6 kcal/mol.

Original language	English (US)
Pages (from-to)	64-70
Number of pages	7
Journal	Chemical Physics Letters
Volume	92
Issue number	1
DOIs	https://doi.org/10.1016/0009-2614(82)83414-3
State	Published - Oct 8 1982

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title = "Semiclassical self-consistent-field method for reactive resonances",

abstract = "We show that the semiclassical SCF method can be used for stabilization calculations of resonances in chemical reactions. We apply it to four mass combinations with an average absolute error of only 0.6 kcal/mol.",

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AU - Truhlar, Donald G

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N2 - We show that the semiclassical SCF method can be used for stabilization calculations of resonances in chemical reactions. We apply it to four mass combinations with an average absolute error of only 0.6 kcal/mol.

AB - We show that the semiclassical SCF method can be used for stabilization calculations of resonances in chemical reactions. We apply it to four mass combinations with an average absolute error of only 0.6 kcal/mol.

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Semiclassical self-consistent-field method for reactive resonances

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