Inversion of Randomly Corrugated Surfaces Structure from Atom Scattering Data

The Sudden Approximation is applied to invert structural data on randomly corrugated surfaces from inert atom scattering intensities. Several expressions relating experimental observables to surface statistical features are derived. The results suggest that atom (and in particular He) scattering can be used profitably to study hitherto unexplored forms of complex surface disorder.Comment: 10 pages, no figures. Related papers available at http://neon.cchem.berkeley.edu/~dan

Time-dependent quantum study of H(2S) + FO(2?) ? OH(2?) + F(2P) reaction on the 1 3A? and 13A? states

PubMed ID: 20740560The dynamics of the H(2S) + FO(2?) ? OH( 2?) + F(2P) reaction on the adiabatic potential energy surface of the 13A? and 13A? states is investigated. The initial state selected reaction probabilities for total angular momentum J = 0 have been calculated by using the quantum mechanical real wave packet method. The integral cross sections and initial state selected reaction rate constants have been obtained from the corresponding J = 0 reaction probabilities by means of the simple J-Shifting technique. The initial state-selected reaction probabilities and reaction cross section do not manifest any sharp oscillations and the initial state selected reaction rate constants are sensitive to the temperature. © 2010 Wiley Periodicals, Inc

Quantum dynamics of H(2S)+FO(2?) ? HF( 1?+) + O(3P)reaction on the 1 3A? state

The H(2S)+FO(2?) ? HF(1? +) + O(3P) reaction on the 13A? state potential energy surface is investigated using the quantum mechanical real wave packet method. The state-to-state and state-to-all reaction probabilities for total angular momentum J = 0 have been calculated. The probabilities for J>0 have been calculated by means of the simple J-shifting method. The initial state selected integral cross-sections and rate coefficients have been calculated. The state-to-state, state-to-all reaction probabilities and the reaction cross-section do not manifest any significant oscillations and the initial state selected reaction rate constants are sensitive to the temperature. © 2011 Taylor & Francis