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Journal article

Quantum nuclear dynamics in the photophysics of diamondoids.

Abstract:

The unusual electronic properties of diamondoids, the nanoscale relatives of diamond, make them attractive for applications ranging from drug delivery to field emission displays. Identifying the fundamental origin of these properties has proven highly challenging, with even the most advanced quantum many-body calculations unable to reproduce measurements of a quantity as ubiquitous as the optical gap. Here, by combining first-principles calculations and Importance Sampling Monte Carlo methods...

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Publication status:
Published

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Publisher copy:
10.1038/ncomms3006

Authors


Patrick, CE More by this author
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Institution:
University of Oxford
Department:
Oxford, MPLS, Materials
Journal:
Nature communications
Volume:
4
Pages:
2006
Publication date:
2013
DOI:
EISSN:
2041-1723
ISSN:
2041-1723
URN:
uuid:11e6bd16-9434-4af7-ab1f-7da3bcefc623
Source identifiers:
401119
Local pid:
pubs:401119
Language:
English

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