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Quantum state estimation method, quantum state estimation device and computer program
Quantum state estimation method, quantum state estimation device and computer program
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机译:量子态估计方法,量子态估计装置和计算机程序
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摘要
A control section virtually divides a surface of an adsorbing material into a plurality of regions (cells) in accordance with a computer program. Further, the control section-allocates a normal distribution function to each of the divided cells, and sets a linear combination of the normal distribution functions allocated to all cells to a trial function. Moreover, the control section solves a Schrödinger equation based upon a potential on the surface of the adsorbing material by a numerical variational method, to calculate a wave function. Then, based upon the calculated wave function, the quantum state of the atom or the molecule adsorbed on the surface of the adsorbing material is estimated.
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