Presentation Information

[19a-A25-5]First principles simulation of multielectron systems under intense laser field using quantum computer and natural-expansion ansatz II

〇Hiroki Gi1, Kenichi Ishikawa1, Yukio Kawashima2, Tanvi Gujarati2, Takeshi Sato1 (1.The Univ. of Tokyo, 2.IBM Quantum)

Keywords:

quantum computer,first-principle simulation,high harmonic generation

To calculate high-order harmonic generation, it is necessary to perform electron dynamics calculations. Our laboratory developed the TD-OUCC method using a quantum computer. However, when the number of orbitals is increased in the TD-OUCC method, the circuit length becomes too deep, and the noise effect prevents us from obtaining useful results. Therefore, we developed the Natural-expansion ansatz, and in this research, we conducted simulations of multi-electron atoms based on real three-dimensional Hamiltonians.

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