Advances in Chemical Physics: State-Selected and by Michael Baer, Cheuk-Yiu Ng, Ilya Prigogine, Stuart A. Rice

By Michael Baer, Cheuk-Yiu Ng, Ilya Prigogine, Stuart A. Rice

Nonadiabatic Interactions among capability power Surfaces: conception and purposes (B. Lengsfield & D. Yarkony).

Diabatic power power Surfaces for Charge-Transfer techniques (V. Sidis).

version strength power Surfaces for Inelastic and Charge-Transfer techniques in Ion-Molecule Collision (F. Gianturco & F. Schneider).

Quantum-Mechanical therapy for Charge-Transfer procedures in Ion-Molecule Collisions (M. Baer).

Semiclassical method of Charge-Transfer approaches in Ion-Molecule Collisions (H. Nakamura).

The Semiclassical Time-Dependent method of Charge-Transfer approaches (E. Gislason, et al.).

The Classical Trajectory-Surface-Hopping method of Charge-Transfer strategies (S. Chapman).

Statistical elements of Ion-Molecule Reactions (J. Troe).


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Extra resources for Advances in Chemical Physics: State-Selected and State-To-State Ion-Molecule Reaction Dynamics, Part 2, Theory, Volume 82

Example text

Is the transition Lagrangian [Eq. 33b)l constructed with transition density matrices and first derivative integrals [Eqs. 30)]. The fourth term in Eq. 88a) g;;y = 1 (U;,ufli + U:iU:j)g,nkr + .... "' is a Lagrangian constructed from h and g integrals and U" transformed density matrices, for example, yJf*"'= UayJf. This type of transformed transition density matrix is given explicitly in Appendix A. h. The expression for nF-clhJf(R) is analogous to that found for CsF-C1kJf(R) [Eq. 65c)l. 90) are quite similar with the principal difference being that in the contribution to'-FS' hJ 1 (R), Eq.

Was actually part of an extended region of nuclear coordinate space for which the two potential energy surfaces in question are in close proximity. lz6 While this previous work has resulted in a clearer picture of quenching of H,(B) by helium several important questions remain unresolved. The Perhaps as Farantos surface is known to have significant a result, the trajectory surface hopping studies of F a r a n t o ~ ' ~yield ' a quenching cross section significantly smaller than the experimental ~ a l u e .

7)], where w = x,p, z and i indexes the N nuclei, both modifies ( J = I ) and couples ( J # I ) Born-Oppenheimer potential energy surfaces. Again from Eqs. 5) and ( 2 . w where and is referred to as the adiabatic correction to the Born-Oppenheimer potential energy surface. Under favorable. circumstances, that is, when the Born-Oppenheimer potential energy surface is sufficiently isolated so that interstate coupling can be neglected, the adiabatic correction can be inferred from spectroscopic studies of isotopically substituted species.

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