Photodissociation of O2
Reference:
Mirjam C. G. N. van Vroonhoven and
Gerrit C. Groenenboom,
Photodissociation of O2 in the Herzberg continuum. I.
Ab initio calculation of potential energy curves and
properties, J. Chem. Phys. 116, 1954 (2002).
and
Photodissociation of O2 in the Herzberg continuum. II.
Calculation of fragment polarization and angular distribution
J. Chem. Phys. 116, 1965 (2002).
A Fortran 77 implementation of the fit of the potential energy curves,
spin-orbit couplings, and the radial derivatieve nonadiabatic coupling
matrix element may be retrieved via the
EPAPS homepage
Document No. E-JCPSA6-116-303204
(
http://ftp.aip.org/epaps/journ_chem_phys/E-JCPSA6-116-303204).
You may also use our local ftp server here in Nijmegen (Netherlands)
ftp://ftp.theochem.ru.nl/pub/theochem/gerritg/E-JCPSA6-116-303204.
Further details are given in the README.TXT file available on these ftp-sites.
If none of the above seems to work you may try the web version of the files:
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Last updated: January 24, 2006; January 8, 2011, by Gerrit C. Groenenboom,
e-mail: gerritg@theochem.ru.nl.