Statistics – Computation
Scientific paper
Jan 1988
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1988jchph..88..975b&link_type=abstract
Journal of Chemical Physics (ISSN 0021-9606), vol. 88, Jan. 15, 1988, p. 975-984.
Statistics
Computation
Formaldehyde, Helium, Interstellar Chemistry, Low Temperature, Matrix Methods, Molecular Collisions, Computational Chemistry, Interstellar Gas, Molecular Energy Levels, Quantum Mechanics, Wave Functions
Scientific paper
Collisions of He(S1) atoms with H2CO molecules at interstellar temperatures have been studied using the L2 R-matrix method developed previously. Using just 13 slightly nonorthogonal radial basis functions, generally excellent agreement is obtained with a previous close-coupled study. However, smooth cross sections are found in two crucial regions where strong resonances have been reported. The accuracy of the present calculations was checked using the de Vogelaere method with parameters set very tightly. Strong resonances in the 20.2 K region were found and characterized as being of the Feshbach type, with the He atom lying in the potential well near the O atom of formaldehyde. Similar resonances in the 127 K region are predicted.
Bocchetta C. J.
Gerratt J.
Guthrie Gordon
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