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Set of programs for the calculation of the vibrational spectra of molecules on ES computers

โœ Scribed by V. A. Dement'ev; K. A. Mishenina; S. A. Shatokhin


Publisher
Springer US
Year
1979
Tongue
English
Weight
288 KB
Volume
31
Category
Article
ISSN
0021-9037

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๐Ÿ“œ SIMILAR VOLUMES


DVR1D: programs for mixed pointwise/basi
โœ James R. Henderson; Jonathan Tennyson ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 842 KB

DVR1D calculates vibrational energy levels and wavefunctions for triatomic molecules in either scattering (Jacobi) or Radau coordinates for a given potential. The program uses a discrete variable representation (DVR) for the angular coordinate and a choice of basis functions for the radial coordinat