[15p-D405-1~9] 1.1 Interdisciplinary and General Physics

[15p-D405-3] Direct Computational Methods for fine-structure splitting by Quantum Computers and Accelerated Numerical Simulation by GPUs

Kenji Sugisaki^1,2,3, V. S. Prasannaa³, Satoshi Ohshima⁴, Takahiro Katagiri⁵, 〇Yuji Mochizuki^6,7, B. K. Sahoo⁸, B. P. Das^3,9 (1.Osaka Metr. U., 2.JST-PRESTO, 3.CQuERE(In.), 4.Kyushu U., 5.Nagoya U., 6.Rikkyo U., 7.U. Tokyo, 8.PRL(In.), 9.Tokyo Inst. Tech.)

Keywords:Quantum Computer, Fine-structure Splitting, GPU

The Bayesian phase difference estimation (BPDE) method developed by Sugisaki et al. as a quantum chemical calculation method for quantum computers has been extended to four-component relativistic calculations. Then the 2p(1/2)-2p(3/2) fine structure splitting (due to spin-orbit interaction) is systematically evaluated for the B atom and its isoelectronic atomic ions with high accuracy. The calculations were carried out on Nagoya University's supercomputer Flow Type II, where an acceleration of 42.7 times by using GPU was observed relative to the CPU case.