Jeremy Coe

Coe, J. P., Moreno Carrascosa, A., Simmermacher, M., Kirrander, A. & Paterson, M. J., 8 Nov 2022, In: Journal of Chemical Theory and Computation. 18, 11, p. 6690-6699 10 p.

Research output: Contribution to journal › Article › peer-review

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11 Citations (Scopus)

70 Downloads (Pure)

Towards high-resolution X-ray scattering as a probe of electron correlation

Moreno Carrascosa, A., Coe, J. P., Simmermacher, M., Paterson, M. J. & Kirrander, A., 21 Oct 2022, In: Physical Chemistry Chemical Physics. 24, 39, p. 24542-24552 11 p.

Research output: Contribution to journal › Article › peer-review

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10 Citations (Scopus)

32 Downloads (Pure)

2019

A systematic construction of configuration interaction wavefunctions in the complete CI space

Prentice, A. W., Coe, J. P. & Paterson, M. J., 28 Oct 2019, In: The Journal of Chemical Physics. 151, 16, 14 p., 164112.

Research output: Contribution to journal › Article › peer-review

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6 Citations (Scopus)

127 Downloads (Pure)

Lattice density-functional theory for quantum chemistry

Coe, J. P., 15 Apr 2019, In: Physical Review B. 99, 16, 165118.

Research output: Contribution to journal › Article › peer-review

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10 Citations (Scopus)

63 Downloads (Pure)

Machine learning configuration interaction for ab initio potential energy curves

Coe, J. P., 12 Nov 2019, In: Journal of Chemical Theory and Computation. 15, 11, p. 6179-6189 11 p.

Research output: Contribution to journal › Article › peer-review

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30 Citations (Scopus)

59 Downloads (Pure)

2018

Development of spin-orbit coupling for stochastic configuration interaction techniques

Murphy, P., Coe, J. P. & Paterson, M. J., 5 Mar 2018, In: Journal of Computational Chemistry. 39, 6, p. 319-327 9 p.

Research output: Contribution to journal › Article › peer-review

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4 Citations (Scopus)

83 Downloads (Pure)

Machine Learning Configuration Interaction

Coe, J. P., 13 Nov 2018, In: Journal of Chemical Theory and Computation. 14, 11, p. 5739-5749 11 p.

Research output: Contribution to journal › Article › peer-review

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71 Citations (Scopus)

170 Downloads (Pure)

Testing density-functional approximations on a lattice and the applicability of the related Hohenberg-Kohn-like theorem

França, V. V., Coe, J. & D'Amico, I., 12 Jan 2018, In: Scientific Reports. 8, 664.

Research output: Contribution to journal › Article › peer-review

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6 Citations (Scopus)

49 Downloads (Pure)

2017

Investigation of challenging spin systems using Monte Carlo configuration interaction and the density matrix renormalization group

Coe, J. P., Almeida, N. M. S. & Paterson, M. J., 2017, In: Journal of Computational Chemistry. 38, 31, p. 2701-2712

Research output: Contribution to journal › Article › peer-review

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2 Citations (Scopus)

73 Downloads (Pure)

2016

Open-shell systems investigated with Monte Carlo configuration interaction

Coe, J. & Paterson, M. J., Oct 2016, In: International Journal of Quantum Chemistry. 116, p. 1772-1782 11 p.

Research output: Contribution to journal › Article › peer-review

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10 Citations (Scopus)

71 Downloads (Pure)

Positronic molecule calculations using Monte Carlo Configuration Interaction

Coe, J. & Paterson, M. J., Feb 2016, In: Chemical Physics Letters. 645, p. 106-111 6 p.

Research output: Contribution to journal › Article › peer-review

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4 Citations (Scopus)

98 Downloads (Pure)

2015

Excited States of the Nickel Carbonyls Ni(CO) and Ni(CO)4: Challenging Molecules for Electronic Structure Theory

McKinlay, R. G., Almeida, N. M. D. S., Coe, J. & Paterson, M. J., Oct 2015, In: Journal of Physical Chemistry A. 119, 39, p. 10076-10083 8 p.

Research output: Contribution to journal › Article › peer-review

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14 Citations (Scopus)

605 Downloads (Pure)

Investigating Multireference Character and Correlation in Quantum Chemistry

Coe, J. P. & Paterson, M. J., 8 Sept 2015, In: Journal of Chemical Theory and Computation. 11, 9, p. 4189-4196 8 p.

Research output: Contribution to journal › Article › peer-review

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31 Citations (Scopus)

902 Downloads (Pure)

Multireference X-ray emission and absorption spectroscopy calculations from Monte Carlo configuration interaction

Coe, J. P. & Paterson, M. J., May 2015, In: Theoretical Chemistry Accounts. 134, 5

Research output: Contribution to journal › Article › peer-review

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22 Citations (Scopus)

75 Downloads (Pure)

Uniqueness of density-to-potential mapping for fermionic lattice systems

Coe, J. P., D'amico, I. & França, V. V., 6 Jul 2015, In: Europhysics Letters. 110, 6, 5 p., 63001.

Research output: Contribution to journal › Article › peer-review

14 Citations (Scopus)

2014

Applying Monte Carlo configuration interaction to transition metal dimers: Exploring the balance between static and dynamic correlation

Coe, J. P., Murphy, P. & Paterson, M. J., 3 Jun 2014, In: Chemical Physics Letters. 604, p. 46-52 7 p.

Research output: Contribution to journal › Article › peer-review

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30 Citations (Scopus)

105 Downloads (Pure)

Approaching exact hyperpolarizabilities via sum-over-states Monte Carlo configuration interaction

Coe, J. P. & Paterson, M. J., 28 Sept 2014, In: The Journal of Chemical Physics. 141, 12, p. 124118

Research output: Contribution to journal › Article › peer-review

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28 Citations (Scopus)

116 Downloads (Pure)

Characterising a configuration interaction excited state using natural transition geminals

Coe, J. & Paterson, M. J., 19 Mar 2014, In: Molecular Physics. 112, 5-6, p. 733-739 7 p.

Research output: Contribution to journal › Article

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8 Citations (Scopus)

68 Downloads (Pure)

2013

Monte Carlo Configuration Interaction Applied to Multipole Moments, Ionisation Energies and Electron Affinities

Coe, J., Taylor, D. & Paterson, M., 2013, In: Journal of Computational Chemistry. 34, p. 1083 11 p.

Research output: Contribution to journal › Article › peer-review

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19 Citations (Scopus)

112 Downloads (Pure)

Publisher's Note: “Development of Monte Carlo configuration interaction: Natural orbitals and second-order perturbation theory” [J. Chem. Phys. 137, 204108 (2012)]

Coe, J. P. & Paterson, M. J., 28 May 2013, In: The Journal of Chemical Physics. 138, 20, 209903.

Research output: Contribution to journal › Comment/debate › peer-review

1 Citation (Scopus)

State-averaged Monte Carlo configuration interaction applied to electronically excited states

Coe, J. & Paterson, M., 21 Oct 2013, In: The Journal of Chemical Physics. 139, 15, 11 p., 154103.

Research output: Contribution to journal › Article › peer-review

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28 Citations (Scopus)

107 Downloads (Pure)

2012

Calculations of potential energy surfaces using Monte Carlo configuration interaction

Coe, J., Taylor, D. & Paterson, M., 2012, In: The Journal of Chemical Physics. 137, 12, 19 p., 194111.

Research output: Contribution to journal › Article › peer-review

Open Access

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28 Citations (Scopus)

139 Downloads (Pure)

Development of Monte Carlo configuration interaction: Natural orbitals and second-order perturbation theory

Coe, J. & Paterson, M., 28 Nov 2012, In: The Journal of Chemical Physics. 137, 20, 10 p., 204108.

Research output: Contribution to journal › Article › peer-review

Open Access

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31 Citations (Scopus)

82 Downloads (Pure)

Novel Truncated and Stochastic Approaches to Configuration Interaction

Coe, J. & Paterson, M., 2012, Recent Research Developments in Chemical Physics. Vol. 6. p. 41-65 25 p.

Research output: Chapter in Book/Report/Conference proceeding › Chapter (peer-reviewed) › peer-review

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122 Downloads (Pure)

Pinning effect and QPT-like behavior for two particles confined by a core-shell potential

Marchisio, P. P., Coe, J. P. & D'Amico, I., 17 Jan 2012, (Unpublished) 16 p.

Research output: Working paper

2011

Approximation of the entanglement in quantum dot chains using Hubbard models

Coe, J. P., França, V. V. & D'Amico, I., Apr 2011, In: Journal of Physics: Conference Series. 286, 1, 012048.

Research output: Contribution to journal › Article › peer-review

4 Citations (Scopus)

D’Amico et al. Reply:

D’amico, I., Coe, J. P., França, V. V. & Capelle, K., 27 Oct 2011, In: Physical Review Letters. 107, 18, 188901.

Research output: Contribution to journal › Article › peer-review

4 Citations (Scopus)

Entanglement and position-space information entropy: Hubbard model as an approximation to nanostructure systems

Coe, J. P., França, V. V. & D'Amico, I., 6 Jul 2011, In: Journal of Physics: Conference Series. 303, 1, 012110.

Research output: Contribution to journal › Article › peer-review

1 Citation (Scopus)

Feasibility of approximating spatial and local entanglement in long-range interacting systems using the extended Hubbard model

Coe, J. P., França, V. V. & D'Amico, I., Jan 2011, In: Europhysics Letters. 93, 1, 10001.

Research output: Contribution to journal › Article › peer-review

17 Citations (Scopus)

Quantum Mechanics in Metric Space: Wave Functions and Their Densities

D’amico, I., Coe, J. P., França, V. V. & Capelle, K., 4 Feb 2011, In: Physical Review Letters. 106, 5, 050401.

Research output: Contribution to journal › Article › peer-review

25 Citations (Scopus)

2010

Entanglement variations in model core-shell quantum dots

Marchisio, P. P., Coe, J. P. & D'Amico, I., Sept 2010, In: Journal of Physics: Conference Series. 245, 1, 012051.

Research output: Contribution to journal › Article › peer-review

Erratum: Entanglement and density-functional theory: Testing approximations on Hooke’s atom [Phys. Rev. B77, 205122 (2008)]

Coe, J. P., Sudbery, A. & D’Amico, I., 8 Dec 2010, In: Physical Review B: Condensed Matter and Materials Physics. 82, 8, 089902.

Research output: Contribution to journal › Article › peer-review

3 Citations (Scopus)

Exact and LDA entanglement of tailored densities in an interacting one-dimensional electron system

Coe, J. P. & D'Amico, I., 2010, In: Journal of Physics: Conference Series. 200, 6, 062003.

Research output: Contribution to journal › Article › peer-review

Geometry induced entanglement transitions in nanostructures

Coe, J. P., Abdullah, S. & D’Amico, I., 1 May 2010, In: Journal of Applied Physics. 107, 9, 09E110.

Research output: Contribution to journal › Article › peer-review

3 Citations (Scopus)

Hubbard model as an approximation to the entanglement in nanostructures

Coe, J. P., França, V. V. & D’Amico, I., 17 May 2010, In: Physical Review A. 81, 5, 052321.

Research output: Contribution to journal › Article › peer-review

26 Citations (Scopus)

The entanglement of few-particle systems when using the local-density approximation

Coe, J. P. & D'Amico, I., 17 Dec 2010, In: Journal of Physics: Conference Series. 254, 1, 012010.

Research output: Contribution to journal › Article › peer-review

17 Citations (Scopus)

2009

Effect of confinement potential geometry on entanglement in quantum dot-based nanostructures

Abdullah, S., Coe, J. P. & D’Amico, I., 15 Dec 2009, In: Physical Review B: Condensed Matter and Materials Physics. 80, 23, 235302.

Research output: Contribution to journal › Article › peer-review

29 Citations (Scopus)

Entanglement in and quantum dots: Exact calculations and DFT approximations

Coe, J., Sudbery, A. & D’Amico, I., Mar 2009, In: Microelectronics Journal. 40, 3, p. 499-501 3 p.

Research output: Contribution to journal › Article › peer-review

1 Citation (Scopus)

Reverse engineering in many-body quantum physics: Correspondence between many-body systems and effective single-particle equations

Coe, J. P., Capelle, K. & D’Amico, I., 5 Mar 2009, In: Physical Review A. 79, 3, 032504.

Research output: Contribution to journal › Article › peer-review

18 Citations (Scopus)

2008

Entanglement and density-functional theory: Testing approximations on Hooke’s atom

Coe, J. P., Sudbery, A. & D’Amico, I., 22 May 2008, In: Physical Review B: Condensed Matter and Materials Physics. 77, 20, 205122.

Research output: Contribution to journal › Article › peer-review

87 Citations (Scopus)

Jeremy Coe

Research output

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