Physics – Chemical Physics
Scientific paper
2004-11-01
Khimicheskaya Fizika, 2004, Volume 23, Number 2, pages 13-19
Physics
Chemical Physics
7 pages
Scientific paper
Oscillating integrals often arise in the theoretical description of phenomena in chemical physics, in particular in atomic and molecular collisions, and in spectroscopy. A computer code for the numerical evaluation of the oscillatory cuspoid canonical integrals and their first-order partial derivatives is described. The code uses a novel adaptive contour algorithm, which chooses a contour in the complex plane that avoids the violent oscillatory and exponential natures of the integrand and modifies its choice as necessary. Applications are made to the swallowtail canonical integral and to a bessoid integral.
Connor J. N. L.
Hobbs C. A.
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