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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 62, 1987 - Issue 5
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Original Articles

The sensitivity approach to the analysis of parameter dependencies in reactive collision theory

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Pages 1091-1102 | Received 03 Jun 1987, Accepted 22 Jul 1987, Published online: 23 Aug 2006

References

  • Hwang , J.-T. and Rabitz , H. 1979 . J. chem. Phys. , 70 : 4609 – 4609 .
  • Eno , L. and Rabitz , H. 1979 . J. chem. Phys. , 71 : 4824 – 4824 .
  • Eno , L. and Rabitz , H. 1982 . Adv. chem. Phys. , 51 : 177 – 177 . and references therein.
  • Larter , R. and Rabitz , H. 1984 . Phys. Rev. A , 29 : 1059 – 1059 .
  • Horn , T.R. and Eno , L. 1985 . Molec. Phys. , 54 : 563 – 563 .
  • Lucchese , R.R. 1985 . J. chem. Phys. , 83 : 3118 – 3118 . 1987, Ibid., 86, 443.
  • Guzman , R. and Rabitz , H. 1986 . Chem. Phys. , 109 : 85 – 85 . 1986, J. chem. Phys., 85, 3277.
  • Light , J.C. and Walker , R.B. 1976 . J. chem. Phys. , 65 : 1598 – 1598 .
  • These identities are readily derived from the normalizability of the basis functions and the definitions in (5a) and (5b)
  • Adams , J.T. , Smith , R.L. and Hayes , E.F. 1974 . J. chem. Phys. , 61 : 2193 – 2193 .
  • See, For example, Hildebrand F.B. Introduction to Numerical Analysis McGraw-Hill 1956
  • The smaller initial steplength here than that adopted for our comparisons in the table, reflects the presence of the sharp non-adiabatic coupling envelope in the second test problem
  • Solutions were necessarily stabilized in the second of the test problems in § 3 and our results at least seem to indicate that the procedure does not destabilize the calculated sensitivity coefficients

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