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- Currently displaying 21 - 40 of 106 publications
Corrected density functional theory and the random phase approximation: Improved accuracy at little extra cost.
J Chem Phys
(2023)
159
174106
(doi: 10.1063/5.0168569)
Exploring the parameter space of an endohedral atom in a cylindrical cavity.
J Chem Phys
(2023)
159
164308
(doi: 10.1063/5.0170010)
Studies on the Transcorrelated Method
Journal of chemical theory and computation
(2023)
19
5743
(doi: 10.1021/acs.jctc.3c00046)
Simple and Efficient Route toward Improved Energetics within the Framework of Density-Corrected Density Functional Theory.
Journal of Chemical Theory and Computation
(2023)
19
5427
(doi: 10.1021/acs.jctc.3c00441)
The density and pressure of helium nano-bubbles encapsulated in silicon
Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
(2023)
479
20230081
(doi: 10.1098/rspa.2023.0081)
Corrected Density Functional Theory and the Random Phase Approximation: Improved Accuracy at Little Extra Cost
(2023)
Exploring the parameter space of an endohedral atom in a cylindrical cavity
(2023)
A hybrid stochastic configuration interaction-coupled cluster approach for multireference systems
J Chem Phys
(2023)
158
184101
(doi: 10.1063/5.0145767)
Folded Spectrum VQE : A quantum computing method for the calculation of molecular excited states
(2023)
Non-unitary Trotter circuits for imaginary time evolution
(2023)
A simple and efficient route towards improved energetics within the framework of density-corrected density functional theory
(2023)
A hybrid stochastic configuration interaction-coupled cluster approach for multireference systems
(2023)
Studies on the Transcorrelated Method
(2023)
The density and pressure of helium nano-bubbles encapsulated in silicon
(2022)
Trade-Off between Redox Potential and the Strength of Electrochemical CO2 Capture in Quinones
The Journal of Physical Chemistry C
(2022)
126
14163
(doi: 10.1021/acs.jpcc.2c03752)
Trade-off between redox potential and strength of electrochemical CO2 capture in quinones
(2022)
Reducing unitary coupled cluster circuit depth by classical stochastic amplitude prescreening
Physical Review Research
(2022)
4
023243
A stochastic approach to unitary coupled cluster (vol153, 214106, 2020)
Journal of Chemical Physics
(2022)
156
229902
(doi: 10.1063/5.0098911)
Making the most of data: Quantum Monte Carlo postanalysis revisited.
Physical Review E: Statistical, Nonlinear, and Soft Matter Physics
(2022)
105
045313
(doi: 10.1103/PhysRevE.105.045313)
Trade-off between redox potential and strength of electrochemical CO2 capture in quinones
(2022)
