New PDF release: Advances in Quantum Chemistry, Vol. 45

ISBN-10: 0120348454

ISBN-13: 9780120348459

Advances in Quantum Chemistry publishes articles and invited reports by means of major overseas researchers in quantum chemistry. Quantum chemistry bargains fairly 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 desktops to unravel the wave equations and accomplish its effects. Advances highlights those very important, interdisciplinary advancements.

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0Þ; we can, however, strongly increase the size of the basis set by using only states with angular momentum projection m equal to zero due to the azimuthal symmetry of the time-dependent electronic wave function. Calculations performed with almost 150 of these states show that the Barkas effect, the difference between the energy loss for positively and negatively charged particles, is nearly zero (to within the numerical uncertainties) for unscreened projectiles. This result seems to be independent of the target potential since it is also observed for a harmonic-oscillator target [57].

Knudsen, Mat. Fys. Medd. Dan. Vid. , 1979, 40 (3). [69] R. Golser and D. Semrad, Phys. Rev. , 1991, 66, 1831. [70] D. Niemann, P. Oberschachtsiek, S. Kalbitzer and H. P. Zeindl, Nucl. Instrum. Methods, 1993, B80/81, 37. [71] R. J. Petty and G. Dearnaley, Phys. , 1974, 50A, 273. [72] H. S. Jin and W. M. Gibson, Nucl. Instrum. Methods, 1986, B13, 76. Non-Linear Approach to the Energy Loss of Ions in Solids Ne´stor R. Arista and Agustı´n F. C. Bariloche, Argentina Abstract The present work includes the discussion of three main aspects in the area of the energy loss of ions in solids.

COMPARISON WITH MEASUREMENTS The first coupled-channel calculations for total and differential energy losses were performed for very simple systems such as H on H, He [11,12,61]. Later theses calculations have been extended to more complex systems such as the inner-shells of Al and Si [22,24]. Good agreement with experimental data has been found and the remaining discrepancies have been attributed to multielectron processes. 1. 1. Angular dependence A direct measurement of the electronic energy loss as a function of the impact parameter is a hard task to be performed from the experimental point of view and only a few experiments have been performed for fast light ions.

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Advances in Quantum Chemistry, Vol. 45


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