Ab-initio CI calculation of radiative and non-radiative decay of formaldehyde (1A2) with application to its photochemical decomposition

J.M.F. van Dijk; M.J.H. Kemper; J.H.M. Kerp; H.M. Buck; G.J. Visser

doi:10.1016/0009-2614(78)80116-X

Ab-initio CI calculation of radiative and non-radiative decay of formaldehyde (1A2) with application to its photochemical decomposition

J.M.F. van Dijk
, M.J.H. Kemper
, J.H.M. Kerp
, H.M. Buck
, G.J. Visser

Chemical Engineering and Chemistry

Onderzoeksoutput: Bijdrage aan tijdschrift › Tijdschriftartikel › Academic › peer review

18 Citaten (Scopus)

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A method is described for an ab-initio Cl calculation of the decay of H2CO(1A2). The normal modes 4, 5 and 6 turn out to be about equally important for inducing the radiative transition, while the non-radiative decay is an example of the resonance case. So the experimentally determined exponential decay must be due to a coupling with the dissociative continuum.

Originele taal-2	Engels
Pagina's (van-tot)	353-356
Aantal pagina's	4
Tijdschrift	Chemical Physics Letters
Volume	54
Nummer van het tijdschrift	2
DOI's	https://doi.org/10.1016/0009-2614(78)80116-X
Status	Gepubliceerd - 1978

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10.1016/0009-2614(78)80116-X

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title = "Ab-initio CI calculation of radiative and non-radiative decay of formaldehyde (1A2) with application to its photochemical decomposition",

abstract = "A method is described for an ab-initio Cl calculation of the decay of H2CO(1A2). The normal modes 4, 5 and 6 turn out to be about equally important for inducing the radiative transition, while the non-radiative decay is an example of the resonance case. So the experimentally determined exponential decay must be due to a coupling with the dissociative continuum.",

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year = "1978",

doi = "10.1016/0009-2614(78)80116-X",

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journal = "Chemical Physics Letters",

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T1 - Ab-initio CI calculation of radiative and non-radiative decay of formaldehyde (1A2) with application to its photochemical decomposition

AU - van Dijk, J.M.F.

AU - Kemper, M.J.H.

AU - Kerp, J.H.M.

AU - Buck, H.M.

AU - Visser, G.J.

PY - 1978

Y1 - 1978

N2 - A method is described for an ab-initio Cl calculation of the decay of H2CO(1A2). The normal modes 4, 5 and 6 turn out to be about equally important for inducing the radiative transition, while the non-radiative decay is an example of the resonance case. So the experimentally determined exponential decay must be due to a coupling with the dissociative continuum.

AB - A method is described for an ab-initio Cl calculation of the decay of H2CO(1A2). The normal modes 4, 5 and 6 turn out to be about equally important for inducing the radiative transition, while the non-radiative decay is an example of the resonance case. So the experimentally determined exponential decay must be due to a coupling with the dissociative continuum.

U2 - 10.1016/0009-2614(78)80116-X

DO - 10.1016/0009-2614(78)80116-X

M3 - Article

SN - 0009-2614

VL - 54

SP - 353

EP - 356

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 2

ER -

Ab-initio CI calculation of radiative and non-radiative decay of formaldehyde (1A2) with application to its photochemical decomposition

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