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ABSTRACT:
SUBMITTER: McArdle S
PROVIDER: S-EPMC6568047 | biostudies-literature | 2019 Jun
REPOSITORIES: biostudies-literature
McArdle Sam S Mayorov Alexander A Shan Xiao X Benjamin Simon S Yuan Xiao X
Chemical science 20190425 22
Molecular vibrations underpin important phenomena such as spectral properties, energy transfer, and molecular bonding. However, obtaining a detailed understanding of the vibrational structure of even small molecules is computationally expensive. While several algorithms exist for efficiently solving the electronic structure problem on a quantum computer, there has been comparatively little attention devoted to solving the vibrational structure problem with quantum hardware. In this work, we disc ...[more]