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Number of items: 6.

Article

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

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

Thesis (University of Nottingham only)

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

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