Accurate and Efficient Quantum Computations of Molecular Properties Using Daubechies Wavelet Molecular Orbitals: A Benchmark Study against Experimental Data

Although quantum computation is regarded as a promising numerical method for computational quantum chemistry, current applications of quantum-chemistry calculations on quantum computers are limited to small molecules. This limitation can be ascribed to technical problems in building and manipulating...

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Bibliographic Details
Main Authors: Cheng-Lin Hong, Ting Tsai, Jyh-Pin Chou, Peng-Jen Chen, Pei-Kai Tsai, Yu-Cheng Chen, En-Jui Kuo, David Srolovitz, Alice Hu, Yuan-Chung Cheng, Hsi-Sheng Goan
Format: Article
Language:English
Published: American Physical Society 2022-06-01
Series:PRX Quantum
Online Access:http://doi.org/10.1103/PRXQuantum.3.020360

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