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Irons, Tom J. P.
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1

Capturing the electron–electron cusp with the coupling-cons..:

Hou, Lin ; Irons, Tom J. P. ; Wang, Yanyong...
The Journal of Chemical Physics.  160 (2024)  1 - p. , 2024
Link: https://doi.org/10.1063/..
 
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2

Magnetic optical rotation from real-time simulations in fin..:

Ofstad, Benedicte Sverdrup ; Wibowo-Teale, Meilani ; Kristiansen, Håkon Emil...
The Journal of Chemical Physics.  159 (2023)  20 - p. , 2023
Link: https://doi.org/10.1063/..
 
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3

Exact constraints and appropriate norms in machine-learned ..:

Pokharel, Kanun ; Furness, James W. ; Yao, Yi...
The Journal of Chemical Physics.  157 (2022)  17 - p. , 2022
Link: https://doi.org/10.1063/..
 
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4

Molecular charge distributions in strong magnetic fields: a..:

Irons, Tom J. P. ; Huynh, Bang C. ; Teale, Andrew M...
Molecular Physics.  , 2022
Link: https://doi.org/10.1080/..
 
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5

Understanding ground and excited-state molecular structure ..:

Wibowo, Meilani ; Huynh, Bang C. ; Cheng, Chi Y...
Molecular Physics.  121 (2022)  7-8 - p. , 2022
Link: https://doi.org/10.1080/..
 
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6

Extending conceptual DFT to include external variables: the..:

Francotte, Robin ; Irons, Tom J. P. ; Teale, Andrew M...
Chemical Science.  13 (2022)  18 - p. 5311-5324 , 2022
Link: https://doi.org/10.1039/..
 
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7

Revealing the exotic structure of molecules in strong magne..:

Pemberton, Miles J. ; Irons, Tom J. P. ; Helgaker, Trygve.
The Journal of Chemical Physics.  156 (2022)  20 - p. , 2022
Link: https://doi.org/10.1063/..
 
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8

An Embedded Fragment Method for Molecules in Strong Magneti..:

Speake, Benjamin T. ; Irons, Tom J. P. ; Wibowo, Meilani...
Journal of Chemical Theory and Computation.  18 (2022)  12 - p. 7412-7427 , 2022
Link: https://doi.org/10.1021/..
 
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9

Topological Analysis of Magnetically Induced Current Densit..:

Irons, Tom J. P. ; Garner, Adam ; Teale, Andrew M.
Chemistry.  3 (2021)  3 - p. 916-934 , 2021
Link: https://doi.org/10.3390/..
 
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10

Self-Consistent Field Methods for Excited States in Strong ..:

David, Grégoire ; Irons, Tom J. P. ; Fouda, Adam E. A...
Journal of Chemical Theory and Computation.  17 (2021)  9 - p. 5492-5508 , 2021
Link: https://doi.org/10.1021/..
 
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11

Modeling Ultrafast Electron Dynamics in Strong Magnetic Fie..:

Wibowo, Meilani ; Irons, Tom J. P. ; Teale, Andrew M.
Journal of Chemical Theory and Computation.  17 (2021)  4 - p. 2137-2165 , 2021
Link: https://doi.org/10.1021/..
 
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12

Optimizing Molecular Geometries in Strong Magnetic Fields:

Irons, Tom J. P. ; David, Grégoire ; Teale, Andrew M.
Journal of Chemical Theory and Computation.  17 (2021)  4 - p. 2166-2185 , 2021
Link: https://doi.org/10.1021/..
 
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13

Analyzing Magnetically Induced Currents in Molecular System..:

Irons, Tom J. P. ; Spence, Lucy ; David, Grégoire...
The Journal of Physical Chemistry A.  124 (2020)  7 - p. 1321-1333 , 2020
Link: https://doi.org/10.1021/..
 
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14

Challenges for large scale simulation: general discussion:

Brandenburg, Jan Gerit ; Burke, Kieron ; Civalleri, Bartolomeo...
Faraday Discussions.  224 (2020)  - p. 309-332 , 2020
Link: https://doi.org/10.1039/..
 
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15

Robust All-Electron Optimization in Orbital-Free Density-Fu..:

Ryley, Matthew S. ; Withnall, Michael ; Irons, Tom J. P...
The Journal of Physical Chemistry A.  125 (2020)  1 - p. 459-475 , 2020
Link: https://doi.org/10.1021/..
 
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