Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Dominik Jochym"'
Autor:
Rebecca Fair, Adam Jackson, David Voneshen, Dominik Jochym, Duc Le, Keith Refson, Toby Perring
Publikováno v:
Journal of Applied Crystallography. 55:1689-1703
Interpretation of vibrational inelastic neutron scattering spectra of complex systems is frequently reliant on accompanying simulations from theoretical models. Ab initio codes can routinely generate force constants, but additional steps are required
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::57108cfea009de4a85ed3d1349c53593
https://doi.org/10.1107/s1600576722009256
https://doi.org/10.1107/s1600576722009256
In this poster, I presented a summary of the computational methods that we had developed so far to estimate the muon stopping sites in crystalline materials. The poster presented the Unperturbed Electrostatic Potential method, our ab initio-based met
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6f1d62ce9f70efd8b9d270bcc81c78a9
Autor:
Andrew J. Robbins, William T. K. Ng, Dominik Jochym, Thomas W. Keal, Stewart J. Clark, David J. Tozer, Paul Hodgkinson
Publikováno v:
Physical Chemistry Chemical Physics (PCCP); May2007, Vol. 9 Issue 19, p2389-2396, 8p