Advances in Quantum Chemistry, Volume 45: Theory of the by Remigio Cabrera-Trujillo, John R. Sabin

By Remigio Cabrera-Trujillo, John R. Sabin

Advances in Quantum Chemistry offers surveys of present advancements during this quickly constructing box that falls among the traditionally tested parts of arithmetic, physics, chemistry, and biology. With invited studies written through major foreign researchers, every one proposing new effects, it presents a unmarried automobile for following development during this interdisciplinary area.

The purpose of this and the following quantity during this sequence is to give the newest advancements within the box of strength deposition because it is absolutely considered via the various significant researchers operating during this zone. it truly is not easy to include all the very important gamers and all the subject matters with regards to strength deposition within the constrained house on hand; but the editors have attempted to provide the cutting-edge because it is now.

  • High caliber and thorough reports of varied points of quantum chemistry

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Additional resources for Advances in Quantum Chemistry, Volume 45: Theory of the Interaction of Swift Ions with Matter, Part 1

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The AO results may also be used for benchmark tests of simpler models. In this context we have also checked a simple non-perturbative model, the UCA. This model includes the main features of fast heavy-ion stopping, as is shown by comparison with large-scale AO results for the impact-parameter dependent electronic energy transfer. The computation of the energy loss within the UCA is much simpler and by many orders of magnitude faster than the full numerical solution of the time-dependent Schro¨dinger equation.

Huge-basis set calculations have been performed with hundreds of states, including bound atomic orbitals of the target and target-centered continuum wave-packets. If necessary bound projectile states are included as well. These calculations involve solutions of the Schro¨dinger equation for each impact parameter and for all important projectile charge-states weighted with the corresponding charge-state fraction. Thus, not only the screened target potential (in most cases a self-consistent Hartree –Fock– Slater potential) but also screened projectile potentials have to be considered.

59] F. H. M. Faisal, Germany Book Series: Physics of Atoms and Molecules, Kluwer Academic/Plenum Press, London, 1987. 46 P. L. Grande and G. Schiwietz [60] H. J. Lu¨dde, A. Henne, A. Salin, A. Toepfer and R. Dreizler, J. Phys. B: At. Mol. Opt. , 1993, 26, 2667. [61] G. Schiwietz, P. L. Grande, C. Auth, H. Winter and A. Salin, Phys. Rev. , 1994, 14, 2159. [62] C. Auth and H. Winter, Phys. , 1993, A176, 3055. [63] S. K. Allison, Rev. Mod. , 1958, 30, 1137. [64] H. K. Reynolds, D. N. F. Dunbar, W.

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