Thomas Daniel Gawne

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Thomas Daniel Gawne

Graduate Student

I am a DPhil student with OxCHEDS, supervised by Prof. Sam Vinko and Prof. Justin Wark. My current research is focused on using finite-temperature density functional theory (FT-DFT) to study the (de)localisation of electronic states in highly ionised dense plasmas.

Standard models of ionisation potential depression (IPD) in the dense plasma regime require one to classify valence electronic states as purely bound or purely free - however, as these plasmas are quantum mechanical, this is difficult to do. My current research aims to resolve this difficult by quantifying the "boundness" of valence states, and in doing so help justify when states could be considered bound or free. State boundness is determined by examining the spatial extent of Kohn-Sham states calculated from FT-DFT calculations.

Additionally, I am working on implementing a hybrid Kohn-Sham DFT scheme in the plane-wave DFT code ABINIT. This scheme allows one to perform DFT calculations up to very high temperatures (exceeding 100 eV), which has traditionally been impossible to achieve with reasonable computational resources. High-temperature DFT calculations will allows us to study XFEL experiments at the temperatures at which they occur.