Browse by Authors and Editors

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Number of items: 6.

2019

Irons, Tom J.P. (2019) Energy densities: a systematic approach to correlation in density functional theory. PhD thesis, University of Nottingham.

2017

Irons, Tom J.P., Furness, James W., Ryley, Matthew S., Zemen, Jan, Helgaker, Trygve and Teale, Andrew M. (2017) Connections between variation principles at the interface of wave-function and density-functional theories. Journal of Chemical Physics, 147 . 134107/1-134107/7. ISSN 1089-7690

Irons, Tom J.P., Zemen, Jan and Teale, Andrew M. (2017) Efficient calculation of molecular integrals over London atomic orbitals. Journal of Chemical Theory and Computation . ISSN 1549-9626

Vuckovic, Stefan, Irons, Tom J.P., Wagner, Lucas O., Teale, Andrew M. and Gori-Giorgi, Paola (2017) Interpolated energy densities, correlation indicators and lower bounds from approximations to the strong coupling limit of DFT. Physical Chemistry Chemical Physics, 19 . pp. 6169-6183. ISSN 1463-9084

2016

Vuckovic, Stefan, Irons, Tom J.P., Savin, Andreas, Teale, Andrew M. and Gori-Giorgi, Paola (2016) Exchange-correlation functionals via local interpolation along the adiabatic connection. Journal of Chemical Theory and Computation . ISSN 1549-9626

Irons, Tom J.P. and Teale, Andrew M. (2016) The coupling constant averaged exchange–correlation energy density. Molecular Physics, 114 (3-4). pp. 484-497. ISSN 1362-3028

This list was generated on Sat Dec 21 16:15:04 2024 UTC.