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Publications

Targeting spectroscopic accuracy for dispersion bound systems from ab initio techniques: translational eigenstates of Ne@C$_{70}$
K Panchagnula, D Graf, ER Johnson, AJW Thom
(2024)
Translational eigenstates of He@C60 from four-dimensional ab initio potential energy surfaces interpolated using Gaussian process regression
K Panchagnula, D Graf, FEA Albertani, AJW Thom
– J Chem Phys
(2024)
160,
104303
Translational eigenstates of He@C$_{60}$ from four-dimensional \textit{ab initio} Potential Energy Surfaces interpolated using Gaussian Process Regression
K Panchagnula, D Graf, FEA Albertani, AJW Thom
(2024)
Exploring the parameter space of an endohedral atom in a cylindrical cavity
K Panchagnula, AJW Thom
– The Journal of chemical physics
(2023)
159,
164308
Exploring the parameter space of an endohedral atom in a cylindrical cavity
K Panchagnula, AJW Thom
(2023)

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