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dc.contributor.authorVaillant, Christophe Louis Joseph Jean-Luc
dc.contributor.authorCvitas, Marko
dc.date.accessioned2018-07-26T08:55:56Z
dc.date.available2018-07-26T08:55:56Z
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/278449
dc.descriptionData files containing the tunneling matrix elements as a function of the Euler angles, along with python code to interpret the files and calculate the rotation-tunneling energy levels as shown in Fig. 3 of the publication.
dc.formatPython: to generate the rotational-tunneling levels, simply run the adjacencyrotationalwell.py script using python 2.7 by typing "python adjacencyrotationalwell.py" in a bash terminal on a linux machine.
dc.rightsGNU General Public License v3.0
dc.rights.urihttps://www.gnu.org/licenses/gpl-3.0.en.html
dc.subjectrotational spectroscopy
dc.subjecttunneling splittings
dc.subjectwater clusters
dc.subjectinstantons
dc.titleData files for "Rotation-Tunneling Spectrum of the Water Dimer from Instanton Theory"
dc.typeDataset
dc.identifier.doi10.17863/CAM.25773
rioxxterms.licenseref.urihttps://www.gnu.org/licenses/gpl-3.0.en.html
datacite.contributor.supervisorAlthorpe, Stuart Christian
dcterms.formatzip, py, dat
dc.contributor.orcidVaillant, Christophe Louis Joseph Jean-Luc [0000-0002-7528-8753]
rioxxterms.typeOther
pubs.funder-project-idEngineering and Physical Sciences Research Council (EP/L010518/1)
datacite.issupplementto.doi10.1039/C8CP04991B


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