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Molecular beam scattering experiments on the reaction K + RbCl: Absolute angular distributions and integral cross sections
The angular distributions of the reactive and nonreactive scattering for the system K + RbCl have been restudied in a molecular beam experiment. By absolutely measuring all the primary data, it was po...
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A semiclassical extension of Levinson's theorem to a model three-body system is presented. The system chosen is a particle interacting with a harmonic oscillator for collinear configurations. The theo...

Ab initio study of the X2Pi and A2Sigma+ states of OH. I. Potential curves and properties

J. Chem. Phys. 61, 5389 (1974); doi:10.1063/1.1681891

Issue Date: 15 December 1974

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Shih-I Chu
Center for Astrophysics, Harvard College Observatory and Smithsonian Astrophysical Observatory, Cambridge, Massachusetts 02138

M. Yoshimine and B. Liu
IBM Research Laboratory, San Jose, California 95193
Accurate ab initio CI potential curves and molecular properties are presented for the X2Pi and A2Sigma+ states of OH. Results with known experimental values in parentheses are Re(X2Pi) = 1.841(1.834) bohr, Re(A2Sigma+) = 1.906(1.913) bohr, De(X2Pi) = 4.43(4.63) eV, De(A2Sigma+) = 2.29(2.53) eV, µ(OH,X2Pi,nu=0) = 1.634(1.668) D, and µ(OD,A2Sigma+,nu=0) = 1.861(1.72±0.10) D. Spectroscopic constants calculated from the theoretical potential curves are in satisfactory agreement with experimental results. Other molecular properties studied include quadrupole moments and the electric field gradient at the nuclei. ©1975 American Institute of Physics
History: Received 21 August 1974
Permalink: http://link.aip.org/link/?JCPSA6/61/5389/1
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0021-9606 (print)   1089-7690 (online)
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  1. G. H. Dieke and H. M. Crosswhite, Bumblebee Report No. 87, Johns Hopkins University, 1948.
  2. G. H. Dieke and H. M. Crosswhite, J. Quant. Spectrosc. Radiat. Transfer 2, 97 (1962).
  3. (a) C. Carlone and F. W. Dalby, Can. J. Phys. 47, 1945 (1969);
  4. (b) E. A. Moore and W. G. Richards, Phys. Scr. 3, 223 (1971).
  5. (a) S. Green, P. S. Bagus, B. Liu, A. D. McLean, and M. Yoshimine, Phys. Rev. A 5, 1614 (1972);
  6. (b) M. Yoshimine, S. Green, and P. Thaddeus, Astrophys. J. 183, 899 (1973).
  7. M. Yoshimine, A. D. McLean, and B. Liu, J. Chem. Phys. 58, 4412 (1973).
  8. (a) G. C. Lie, J. Hinze, and B. Liu, J. Chem. Phys. 59, 1872 (1973);
    9. (b) G. C. Lie, J. Hinze, and B. Liu, J. Chem. Phys. 59, 1887 (1973);
    (c) J. Hinze, G. C. Lie, and B. Liu, Astrophys. J. (to be published).
  9. E. Clementi, IBM J. Res. Dev. 9, 2 (1965).
  10. B. Liu, J. Chem. Phys. 58, 1925 (1973).
  11. J. Hinze and B. Liu (unpublished).
  12. P. E. Cade and W. M. Huo, J. Chem. Phys. 47, 614 (1967).
  13. A. D. McLean and B. Liu, J. Chem. Phys. 58, 1066 (1973).
  14. B. Liu (unpublished).
  15. V. Bondybey, P. K. Pearson, and H. F. Schaefer, III, J. Chem. Phys. 57, 1123 (1972).
  16. W. J. Stevens, G. Das, A. C. Wahl, M. Krauss, and D. Neumann (unpublished).
  17. W. L. Meerts and A. Dyamnus, Chem. Phys. Lett. 23, 45 (1973).
  18. R. E. Murphy, J. Chem. Phys. 54, 4852 (1971).
  19. S. Green, J. Chem. Phys. 58, 4327 (1973).
  20. E. M. Weinstock and R. N. Zare, J. Chem. Phys. 54, 4319 (1973).
  21. E. A. Scarl and F. W. Dalby, Can. J. Phys. 49, 2825 (1971).

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