On the origin of the asymmetric shape of the HCl photodissociation cross section
Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
Standard
On the origin of the asymmetric shape of the HCl photodissociation cross section. / Schmidt, Johan Albrecht; Johnson, Matthew Stanley; Grage, Mette Marie-Louise; Nyman, Gunnar.
I: Chemical Physics Letters, Bind 480, Nr. 4-6, 06.09.2009, s. 168-172.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
Harvard
APA
Vancouver
Author
Bibtex
}
RIS
TY - JOUR
T1 - On the origin of the asymmetric shape of the HCl photodissociation cross section
AU - Schmidt, Johan Albrecht
AU - Johnson, Matthew Stanley
AU - Grage, Mette Marie-Louise
AU - Nyman, Gunnar
N1 - Paper id:: doi:10.1016/j.cplett.2009.09.014
PY - 2009/9/6
Y1 - 2009/9/6
N2 - A first principles treatment of the photodissociation of HCl and DCl from 50000 cm1 to 75000 cm1 ispresented. The treatment is the first to correctly reproduce the asymmetric absorption profile observedfor HCl. The theoretical model for the HCl and DCl photodissociation presented in this study considers adissociation process that occurs on a repulsive electronic state (A1P) coupled to a bound electronic state(C1P). The asymmetry in the HCl cross section arises because of the radial coupling introduced by therotation-free nuclear kinetic energy operator.
AB - A first principles treatment of the photodissociation of HCl and DCl from 50000 cm1 to 75000 cm1 ispresented. The treatment is the first to correctly reproduce the asymmetric absorption profile observedfor HCl. The theoretical model for the HCl and DCl photodissociation presented in this study considers adissociation process that occurs on a repulsive electronic state (A1P) coupled to a bound electronic state(C1P). The asymmetry in the HCl cross section arises because of the radial coupling introduced by therotation-free nuclear kinetic energy operator.
M3 - Journal article
VL - 480
SP - 168
EP - 172
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 4-6
ER -
ID: 17112209