Entanglement and density-functional theory: Testing approximations on Hooke’s atom JP Coe, A Sudbery, I D’amico Physical Review B 77 (20), 205122, 2008 | 111 | 2008 |
Machine learning configuration interaction JP Coe Journal of chemical theory and computation 14 (11), 5739-5749, 2018 | 94 | 2018 |
Development of Monte Carlo configuration interaction: Natural orbitals and second-order perturbation theory JP Coe, MJ Paterson The Journal of Chemical Physics 137 (20), 2012 | 40 | 2012 |
Effect of confinement potential geometry on entanglement in quantum dot-based nanostructures S Abdullah, JP Coe, I D’Amico Physical Review B 80 (23), 235302, 2009 | 39 | 2009 |
Investigating multireference character and correlation in quantum chemistry JP Coe, MJ Paterson Journal of chemical theory and computation 11 (9), 4189-4196, 2015 | 36 | 2015 |
Machine learning configuration interaction for ab initio potential energy curves JP Coe Journal of chemical theory and computation 15 (11), 6179-6189, 2019 | 35 | 2019 |
Calculations of potential energy surfaces using Monte Carlo configuration interaction JP Coe, DJ Taylor, MJ Paterson The Journal of Chemical Physics 137 (19), 2012 | 34 | 2012 |
Quantum mechanics in metric space: Wave functions and their densities I D’amico, JP Coe, VV França, K Capelle Physical Review Letters 106 (5), 050401, 2011 | 34 | 2011 |
Hubbard model as an approximation to the entanglement in nanostructures JP Coe, VV França, I D’Amico Physical Review A 81 (5), 052321, 2010 | 34 | 2010 |
Applying Monte Carlo configuration interaction to transition metal dimers: Exploring the balance between static and dynamic correlation JP Coe, P Murphy, MJ Paterson Chemical Physics Letters 604, 46-52, 2014 | 33 | 2014 |
State-averaged Monte Carlo configuration interaction applied to electronically excited states JP Coe, MJ Paterson The Journal of Chemical Physics 139 (15), 2013 | 33 | 2013 |
Approaching exact hyperpolarizabilities via sum-over-states Monte Carlo configuration interaction JP Coe, MJ Paterson The Journal of Chemical Physics 141 (12), 2014 | 28 | 2014 |
Reverse engineering in many-body quantum physics: Correspondence between many-body systems and effective single-particle equations JP Coe, K Capelle, I D’Amico Physical Review A 79 (3), 032504, 2009 | 27 | 2009 |
Feasibility of approximating spatial and local entanglement in long-range interacting systems using the extended Hubbard model JP Coe, VV França, I d'Amico Europhysics Letters 93 (1), 10001, 2011 | 26 | 2011 |
Monte Carlo configuration interaction applied to multipole moments, ionization energies, and electron affinities JP Coe, DJ Taylor, MJ Paterson Journal of Computational Chemistry 34 (13), 1083-1093, 2013 | 23 | 2013 |
Multireference X-ray emission and absorption spectroscopy calculations from Monte Carlo configuration interaction JP Coe, MJ Paterson Theoretical Chemistry Accounts 134 (5), 58, 2015 | 21 | 2015 |
The entanglement of few-particle systems when using the local-density approximation JP Coe, I D'Amico Journal of Physics: Conference Series 254 (1), 012010, 2010 | 20 | 2010 |
Uniqueness of density-to-potential mapping for fermionic lattice systems JP Coe, I D'amico, VV França Europhysics Letters 110 (6), 63001, 2015 | 19 | 2015 |
Excited States of the Nickel Carbonyls Ni(CO) and Ni(CO)4: Challenging Molecules for Electronic Structure Theory RG McKinlay, NMS Almeida, JP Coe, MJ Paterson The Journal of Physical Chemistry A 119 (39), 10076-10083, 2015 | 15 | 2015 |
Open‐shell systems investigated with Monte Carlo configuration interaction JP Coe, MJ Paterson International Journal of Quantum Chemistry 116 (23), 1772-1782, 2016 | 11 | 2016 |