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  • Currently displaying 1 - 20 of 79 publications
Optimised Baranyai partitioning of the second quantised Hamiltonian
B Csakany, AJW Thom
(2023)
Corrected density functional theory and the random phase approximation: Improved accuracy at little extra cost.
D Graf, AJW Thom
– J Chem Phys
(2023)
159,
174106
Exploring the parameter space of an endohedral atom in a cylindrical cavity
K Panchagnula, AJW Thom
– The Journal of chemical physics
(2023)
159,
164308
Studies on the Transcorrelated Method
N Lee, AJW Thom
– Journal of Chemical Theory and Computation
(2023)
19,
5743
Simple and Efficient Route toward Improved Energetics within the Framework of Density-Corrected Density Functional Theory
D Graf, AJW Thom
– Journal of chemical theory and computation
(2023)
19,
5427
The density and pressure of helium nano-bubbles encapsulated in silicon
NC Pyper, AJW Thom, CT Whelan
– Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
(2023)
479,
20230081
Corrected Density Functional Theory and the Random Phase Approximation: Improved Accuracy at Little Extra Cost
D Graf, AJW Thom
(2023)
Exploring the parameter space of an endohedral atom in a cylindrical cavity
K Panchagnula, AJW Thom
(2023)
Folded Spectrum VQE : A quantum computing method for the calculation of molecular excited states
LC Tazi, AJW Thom
(2023)
A hybrid stochastic configuration interaction-coupled cluster approach for multireference systems.
M-A Filip, AJW Thom
– The Journal of Chemical Physics
(2023)
158,
184101
Non-unitary Trotter circuits for imaginary time evolution
C Leadbeater, N Fitzpatrick, DM Ramo, AJW Thom
(2023)
A simple and efficient route towards improved energetics within the framework of density-corrected density functional theory
D Graf, AJW Thom
(2023)
A hybrid stochastic configuration interaction-coupled cluster approach for multireference systems
M-A Filip, AJW Thom
(2023)
Studies on the Transcorrelated Method
N Lee, AJW Thom
(2023)
The density and pressure of helium nano-bubbles encapsulated in silicon
NC Pyper, AJW Thom, CT Whelan
(2022)
Trade-Off between Redox Potential and the Strength of Electrochemical CO2 Capture in Quinones
AT Bui, NA Hartley, AJW Thom, AC Forse
– The Journal of Physical Chemistry C
(2022)
126,
14163
Trade-off between redox potential and strength of electrochemical CO2 capture in quinones
AT Bui, NA Hartley, AJW Thom, AC Forse
(2022)
Reducing unitary coupled cluster circuit depth by classical stochastic amplitude prescreening
MA Filip, N Fitzpatrick, D Muñoz Ramo, AJW Thom
– Physical Review Research
(2022)
4,
023243
Making the most of data: Quantum Monte Carlo Post-Analysis Revisited
T Ichibha, VA Neufeld, K Hongo, R Maezono, AJW Thom
– Physical review. E
(2022)
105,
045313
Trade-off between redox potential and strength of electrochemical CO2 capture in quinones
AT Bui, NA Hartley, AJW Thom, AC Forse
(2022)