Quantum-hydrodynamic approach to the problem of electron exchange between atomic particles and nanosystems

The application of quantum-hydrodynamic methods for solving the problem of electron exchange between atomic particles and solid surfaces, and nanosystems has been examined. The derivation of a system of equations that is alternative to the nonstationary Schrödinger equation is given to describe the...

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Veröffentlicht in:Surface investigation, x-ray, synchrotron and neutron techniques x-ray, synchrotron and neutron techniques, 2011-12, Vol.5 (6), p.1126-1129
Hauptverfasser: Gainullin, I. K., Khodyrev, V. A.
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Sprache:eng
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Zusammenfassung:The application of quantum-hydrodynamic methods for solving the problem of electron exchange between atomic particles and solid surfaces, and nanosystems has been examined. The derivation of a system of equations that is alternative to the nonstationary Schrödinger equation is given to describe the dynamics of electronic processes with variable charge and current densities. A comparison of results of solving the nonstationary Schrödinger equation and the quantum-hydrodynamic system of equations shows that both approaches give a good coincidence. The numerical solution to the system of quantum-hydrodynamic equations has a number of advantages, because it does not lead to oscillations at the boundary of the computational mesh and nor to the problem of exponential growth in numerical complexity for many-electron systems.
ISSN:1027-4510
1819-7094
DOI:10.1134/S1027451011110073