Cite as: J. Chem. Phys. 93, 1061(1990); https://doi.org/10.1063.1.459170

Submitted: 24 January 1990 . Accepted: 02 April 1990 . Published Online: 31 August 1998

John C. Tully

Molecular dynamics with electronic transitions: The Journal of Chemical Physics: Vol 93, No 2 (scitation.org)

ABSTRACT

I. INTRODUCTION

II. DESIRED ATTRIBUTES OF THE METHOD

III. THE METHOD

IV. COMPARISON WITH ACCURATE QUANTUM RESULTS

V. DICUSSION

REFERENCES

1. M. F. Herman and E. Kluk, in Dynamical Processes in Condensed Matter, edited by M. W. Evans (Wiley, New York, 1985), p. 577. Google Scholar
2. E. E. Nikitin, Theory of Elementary Atomic and Molecular Processes in Gases (Clarendon, Oxford, 1974). Google Scholar
3. M. S. Child, in Atom‐Molecule Collision Theory, edited by R. B. Bernstein (Plenum, New York, 1979), p. 427. Google Scholar
4. M. Baer, in Theory of Chemical Reaction Dynamics, edited by M. Baer (CRC, Boca Raton, 1985), Vol. II, p. 219. Google Scholar
5. P. Pechukas, Phys. Rev. 181, 174 (1969). **Google ScholarCrossref**
6. P. Pechukas and J. P. Davis, J. Chem. Phys. 56, 4970 (1972). **Google ScholarScitation**
7. J. C. Tully and R. K. Preston, J. Chem. Phys. 55, 562 (1971). **Google ScholarScitation**
8. J. C. Tully, in Dynamics of Molecular Collisions edited by W. H. Miller (Plenum, New York, 1976), Part B, p. 217. Google Scholar