Supplementary material to paper:
J. M. L. Martin, T. J. Lee, and P. R. Taylor, ``A purely ab initio spectroscopic quality quartic force field of acetylene'',
Journal of Chemical Physics
108
, 676-691 (1998) [
Read in AIP Jour nals Online
]
Download preprint of the paper
(RevTeX)
(.DVI)
(PostScript)
Complete quartic force field in
internal
and
normal
coordinates (ASCII text files).
Complete quartic force field in Cartesian coordinates (for direct input into SPECTRO)
(quadratics, i.e. fort.15)
(cubics, i.e. fort.30)
(quartics, i.e. fort.40)
Contact:
comartin@wicc.weizmann.ac.il