Calculation of the moscovium ground‐state energy by quantum algorithms.

Autor:	Zaytsev, V. A., Groshev, M. E., Maltsev, I. A., Durova, A. V., Shabaev, V. M.
Předmět:	NUCLEAR energy BINDING energy ALGORITHMS QUANTUM computers SUPERHEAVY elements
Zdroj:	International Journal of Quantum Chemistry; 1/5/2024, Vol. 124 Issue 1, p1-17, 17p
Abstrakt:	We investigate the possibility to calculate the ground‐state energy of the atomic systems on a quantum computer. For this purpose we evaluate the lowest binding energy of the moscovium atom with the use of the iterative phase estimation and variational quantum eigensolver (VQE). The calculations by the VQE are performed with a disentangled unitary coupled cluster ansatz and with various types of hardware‐efficient ansatze. The optimization is performed with the use of the Adam and quantum natural gradients procedures. The scalability of the ansatze and optimizers is tested by increasing the size of the basis set and the number of active electrons. The number of gates required for the iterative phase estimation and VQE is also estimated. [ABSTRACT FROM AUTHOR]
Databáze:	Complementary Index
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