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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 28, 1974 - Issue 6
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Original Articles

Calculations of potential energy surfaces in the complex plane

III. Branch-point structure and rational fractionsFootnote

Acknowledgment is made to the National Science Foundation (Grants GP-38815 and GP-33998X), the Air Force Office of Scientific Research (Contract F44620-74-C-0073), the Research Corporation, and the Donors of the Petroleum Research Fund, administered by the American Chemical Society, for partial support of this research.

, &
Pages 1489-1503 | Received 09 May 1974, Published online: 22 Aug 2006

References

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  • Miller , W.H. and George , T.F. 1972 . J. chem. Phys. , 56 : 5637 – 5637 .
  • Lin , Y.-W. , George , T.F. and Morokuma , K. 1973 . Chem. Phys. Lett. , 22 : 547 – 547 . 1974, J. chem. Phys., 60, 4311. Lin, Y.-W., and George, T. F., 1974, J. chem. Phys., 61, 1510.
  • George , T.F. and Lin , Y.W. 1974 . J. chem. Phys. , 60 : 2340 – 2340 .
  • Morokuma , K. and George , T.F. 1973 . J. chem. Phys. , 59 : 1959 – 1959 .
  • George , T.F. and Morokuma , K. 1973 . Chem. Phys. , 2 : 129 – 129 .
  • Schlessinger , L. 1968 . Phys. Rev. , 167 : 1411 – 1411 .
  • For a recent review see Parr C.A. Truhlar D.G. J. phys. Chem. 1971 75 1844 1844
  • Ellison , F.O. 1963 . J. Am. chem. Soc. , 85 : 3540 – 3540 . 3544. Ellison, F. O., and Patel, J. C., 1964, J. Am. chem. Soc., 86, 2155.
  • Tully , J.C. 1973 . J. chem. Phys. , 58 : 1396 – 1396 . 1973, Ibid., 59, 5122.
  • Preston , R.K. and Tully , J.C. 1971 . J. chem. Phys. , 54 : 4297 – 4297 . Tully, J. C., and Preston, R. K., 1971, J. chem. Phys., 55, 562.
  • For the use of continued fractions with complex variables in other physical problems, see Murtaugh T.S. Reinhardt W.P. Chem. Phys. Lett. 1971 11 562 562
  • Bauschlicher , C.W. , O'Neil , S.V. , Preston , R.K. , Schaefer , H.F. and Bender , C.F. 1973 . J. chem. Phys. , 59 : 1286 – 1286 .
  • Jaffe , R.J. , Morokuma , K. and George , T.F. J. chem. Phys. , in the press

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