Near-term quantum algorithm for computing molecular and materials
properties based on recursive variational series methods
- URL: http://arxiv.org/abs/2206.09881v3
- Date: Sat, 26 Aug 2023 11:23:56 GMT
- Title: Near-term quantum algorithm for computing molecular and materials
properties based on recursive variational series methods
- Authors: Phillip W. K. Jensen, Peter D. Johnson, and Alexander A. Kunitsa
- Abstract summary: We propose a quantum algorithm to estimate the properties of molecules using near-term quantum devices.
We test our method by computing the one-particle Green's function in the energy domain and the autocorrelation function in the time domain.
- Score: 44.99833362998488
- License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
- Abstract: Determining the properties of molecules and materials is one of the premier
applications of quantum computing. A major question in the field is: how might
we use imperfect near-term quantum computers to solve problems of practical
value? We propose a quantum algorithm to estimate the properties of molecules
using near-term quantum devices. The method is a recursive variational series
estimation method, where we expand an operator of interest in terms of
Chebyshev polynomials and evaluate each term in the expansion using a
variational quantum algorithm. We test our method by computing the one-particle
Green's function in the energy domain and the autocorrelation function in the
time domain.
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