Data files for "Rotation-Tunneling Spectrum of the Water Dimer from Instanton Theory"
Repository URI
Repository DOI
Change log
Authors
Vaillant, CLJ
Cvitas, Marko
Description
Data 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.
Version
Software / Usage instructions
Python: 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.
Keywords
rotational spectroscopy, tunneling splittings, water clusters, instantons
Publisher
Sponsorship
Engineering and Physical Sciences Research Council (EP/L010518/1)