Advances in Quantum Chemistry, Vol. 45

Advances in Quantum Chemistry publishes articles and invited stories by means of major foreign researchers in quantum chemistry. Quantum chemistry bargains relatively with the digital constitution of atoms, molecules, and crystalline subject 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 unravel the wave equations and accomplish its effects. Advances highlights those vital, interdisciplinary advancements.

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In standard first-order treatments, the sum over all probabilities exceeds one since no reduction of the initial-state population is accounted for. This leads to an artificial creation of electrons (overestimated stopping power proportional to Zp4 ). The corresponding experimentally observed saturation (stopping power reduction compared to Zp2 for heavy ions) may roughly be described within the unitary first-order Magnus approximation [55]. A different treatment by Bloch [19] also takes into account this effect and the term proportional to Zp4 agrees quite well with the one from coupled-channel calculations.

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