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Advances in Quantum Chemistry publishes articles and invited experiences by means of prime overseas researchers in quantum chemistry. Quantum chemistry offers rather with the digital constitution of atoms, molecules, and crystalline topic and describes it when it comes to electron wave styles. It makes use of actual and chemical perception, refined arithmetic and high-speed pcs to resolve the wave equations and attain its effects. Advances highlights those very important, interdisciplinary advancements.

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11 we can see that the partial electronic stopping power for bare hydrogen is dominant at high energies whereas excitation and ionization of the projectile yield the highest partial cross section at low velocities. Nevertheless, the projectile ionization leads to an enhancement of the Hþ charge-state fraction at low velocities and consequently the contribution of H0 to the stopping processes is reduced. The experimental equilibrium fraction [63] for hydrogen beams in He gas Ionization and Energy Loss Beyond Perturbation Theory 37 are shown in Fig.

1996, 29, 307. [53] F. Ziegler, J. P. Biersack and U. Littmark, The Stopping and Range of Ions in Solids, Pergamon Press, London, 1985, ISBN 0-08-021603. [54] P. L. Grande, F. C. Zawislak, D. Fink and M. Behar, Nucl. Instrum. Methods, 1991, B61, 282. [55] H. Ryufuku and T. Watanabe, Phys. Rev. A, 1978, 18, 2005; H. Ryufuku and T. Watanabe, Phys. Rev. A, 1979, 19, 1538; U. Wille, J. Phys. B: At. Mol. , 1983, 16, L275. [56] L. L. Balashova, N. M. Kabachnik and V. N. Kondratev, Phys. Status Solidi (b), 1991, 161, 113.

Figure 10 displays the results of our mean energy loss calculations for protons incident on helium at 200 keV as a function of the projectile scattering angle by using the Eikonal transformation (solid line) in comparison with the experimental data of Winter and Auth (closed squares). The dashed lines represent results that are also based on AO calculations but the conversion to projectile-scattering angle was performed by solving the classical Hamilton equations for an averaged heavy-particle Hamiltonian (see equation (7)) that is computed from the time-dependent electron density.

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