Local physical quantities for spin based on the relativistic quantum field theory in molecular systems |
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Authors: | Masahiro Fukuda Kota Soga Masato Senami Akitomo Tachibana |
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Affiliation: | Department of Micro Engineering, Kyoto University, Kyoto, Japan |
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Abstract: | Local physical quantities for spin are investigated on the basis of the four‐ and two‐component relativistic quantum theory. In the quantum field theory, local physical quantities for spin such as the spin angular momentum density, spin torque density, zeta force density, and zeta potential play important roles in spin dynamics. We discuss how to calculate these local physical quantities based on the two‐component relativistic quantum theory. Some different types of relativistic numerical calculations of local physical quantities in Li atom and C6H6 are demonstrated and compared. Local physical quantities for each orbital are also discussed, and it is seen that a total local zeta potential is given as a result of some cancellation of large contributions from each orbital. © 2016 Wiley Periodicals, Inc. |
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Keywords: | local physical quantities for spin quantum field theory four‐ and two‐component relativistic quantum theory spin torque spin vorticity theory |
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