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Digital quantum simulation of molecular vibrations

Abstract:

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 d...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1039/c9sc01313j

Authors


More by this author
Institution:
University of Oxford
Division:
MPLS Division
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Materials
Oxford college:
Exeter College
Role:
Author
ORCID:
0000-0002-7766-5348
More by this author
Role:
Author
ORCID:
0000-0003-0205-6545
Publisher:
Royal Society of Chemistry
Journal:
Chemical Science More from this journal
Volume:
10
Issue:
22
Pages:
5725-5735
Publication date:
2019-04-25
Acceptance date:
2019-04-23
DOI:
EISSN:
2041-6539
ISSN:
2041-6520
Pmid:
31293758
Language:
English
Keywords:
Pubs id:
pubs:999736
UUID:
uuid:1bc69915-08f4-48fd-b315-cb40f8fadd38
Local pid:
pubs:999736
Source identifiers:
999736
Deposit date:
2019-09-25

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