2 citations · 2 across the 2 of their papers we have counts for
5 papers
Calculating the Raman Signal Beyond Perturbation Theory for a Diatomic Molecular Crystal
Peter I. C. Cooke, Ioan B. Magdău, Graeme J. Ackland
We calculate the eigenstates of a diatomic molecule in a range of model mean-field potentials, and evaluate the evolution of their associated Raman spectra with field strength. We…
Sum-Frequency Signals in 2D-Terahertz-Terahertz-Raman Spectroscopy
Griffin Mead, Haw-Wei Lin, Ioan-Bogdan Magdău +2
We demonstrate that halogenated methane 2D-Terahertz Terahertz Raman (2D-TTR) spectra are determined by the complicated structure of the instrument response function (IRF) along $f…
Interpretation of the THz-THz-Raman Spectrum of Bromoform
Ioan B. Magdau, Griffin J. Mead, Geoffrey A. Blake +1
Nonlinear THz-THz-Raman (TTR) liquid spectroscopy offers new possibilities for studying and understanding condensed-phase chemical dynamics. Although TTR spectra carry rich informa…
Appraisal of the realistic accuracy of Molecular dynamics of high pressure hydrogen
Graeme J Ackland, Ioan B Magdău
Molecular dynamics is a powerful method for studying the behaviour of materials at high temperature. In practice, however, its effectiveness in representing real systems is limited…
Simulating Raman Spectra using molecular dynamics, and identification of high-pressure phases III and IV in hydrogen
Ioan B. Magdau, Graeme J. Ackland
We present a technique for extracting Raman intensities from ab initio molecular dynamics (MD) simulations at high temperature. The method is applied to the highly anharmonic case…