By Donald G., ed. Truhlar
content material: Roles performed via metastable states in chemistry / Jack Simons --
Direct variational tools for complicated resonance energies / C. William McCurdy --
advanced power quantization for molecular platforms / R. Lefebvre --
Approximate quantum ways to the calculation of resonances in reactive and nonreactive scattering / Joel M. Bowman, Ki Tung Lee, Hubert Romanowski, and Lawrence B. Harding --
Resonances in electron-molecule scattering and photoionization / B.I. Schneider and L.A. Collins --
Dynamics of molecular photoionization strategies / D.L. Lynch, V. McKoy, and R.R. Lucchese --
Molecular photoionization resonances : a theoretical chemist's viewpoint / P.W. Langhoff --
form resonances in molecular fields / J.L. Dehmer --
transitority unfavorable ion states in hydrocarbons and their derivatives / K.D. Jordan and P.D. Burrow --
unfavorable ion states of 3- and 4-membered ring hydrocarbons studied via electron transmission spectroscopy / Allison E. Howard and Stuart W. Staley --
Anion resonance states of organometallic molecules / Judith C. Giordan, John H. Moore, and John A. Tossell --
Vibrational-librational excitation and form resonances in electron scattering from condensed N₂, CO, O₂, and NO / L. Sanche and M. Michaud --
Vibrational predissociation of small van der Waals molecules / Robert J. Le Roy --
Complex-coordinate coupled-channel tools for predissociating resonances in van der Waals molecules / Shih-I Chu --
Vibrationally excited states of polyatomic van der Waals molecules : lifetimes and rot mechanisms / W. Ronald Gentry --
Photodissociation of van der Waals molecules : do angular momentum constraints ascertain decay premiums? / M.P. Casassa, Colin M. Western, and Kenneth C. Janda --
Classical, semiclassical, and quantum dynamics of long-lived hugely excited vibrational states of triatoms / R.M. Hedges, Jr., R.T. Skodje, F. Borondo, and W.P. Reinhardt --
The intramolecular dynamics of hugely excited carbonyl sulfide (OCS) / Michael J. Davis and Albert F. Wagner --
Vibrationally bonded molecules : the line from resonances to a brand new kind of chemical bond / Joachim Römelt and Eli Pollak --
Bimolecular reactive collisions : adiabatic and nonadiabatic tools for energies, lifetimes, and branching chances / Bruce C. Garrett, David W. Schwenke, Rex T. Skodje, Devarajan Thirumalai, Todd C. Thompson, and Donald G. Truhlar --
Atom-diatom resonances inside of a many-body method of reactive scattering / David A. Micha and Zeki C. Kuruoglu --
Resonances within the collisional excitation of carbon monoxide via speedy hydrogen atoms / Lynn C. Geiger, George C. Schatz, and Bruce C. Garrett --
Resonant quasi-periodic and periodic orbits for the three-d response of fluorine atoms with hydrogen molecules / C.C. Marston and Robert E. Wyatt --
Resonance phenomena in quantal reactive infinite-order unexpected calculations / Z.H. Zhang, N. Abusalbi, M. Baer, D.J. Kouri, and J. Jellinek --
Dynamic resonances within the response of fluorine atoms with hydrogen molecules / D.M. Neumark, A.M. Wodtke, G.N. Robinson, C.C. Hayden, and Y.T. Lee --
Reactive resonances and angular distributions within the rotating linear version / Edward F. Hayes and Robert B. Walker.
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Additional resources for Resonances. In Electron-Molecule Scattering, van der Waals Complexes, and Reactive Chemical Dynamics
Even with an i n i t i a l r a t i o contaminated by the ingoing component, the outgoing component which increases i n an inward propagation w i l l always dominate. ; ACS Symposium Series; American Chemical Society: Washington, DC, 1984. 40 RESONANCES v i r t u a l states, with or without rotation, the reverse i s true (19) and the inward propagation f a i l s to produce the correct r a t i o . Table II Building of a correct Siegert r a t i o when s t a r t i n g from the inverse of the Siegert r a t i o .
Phys. L e t t . , 1979, 71A, 211. , J. Phys. B. 1973, 6, 614. ; ACS Symposium Series; American Chemical Society: Washington, DC, 1984. 42 RESONANCES 17. , "Potential scattering" ; 1965 North-Holland, Amsterdam. 18. , Helv. Phys. Acta, 1947, 20, 256. 19. Atabek, O. , J . Phys. , 1982, 15, 2689. 20. , Phys. Rev. , 1983, 27, 2946. 21. Atabek, O. , Int. J . Quant. , 1981, 19, 901. 22. , Chem. Phys. , 1976, 38, 349. 23. , J . Phys. B, 1982, 15, 3647. 24. Turner, J . , Chem. , 1982, 71, 127. 25. , Chem.
For the determination of P ( r ) the propagation i s f i r s t along a rotated axis u n t i l point r i s reached. The propagation has then to continue along the real axis (we assume r < r ) . The observation has been made (J4) that the change of path from complex to real can be per formed very accurately by using the Numerov algorithm with variable steps hj and h ( i n which case the step i s hj=-he just before r and h =-h just after i t ) . ; ACS Symposium Series; American Chemical Society: Washington, DC, 1984.