Browse by Authors and EditorsNumber of items: 4. 2015Peach, Michael J.G., Teale, Andrew M., Helgaker, Trygve and Tozer, David J. (2015) Fractional electron loss in approximate DFT and Hartree–Fock theory. Journal of Chemical Theory and Computation, 11 (11). pp. 5262-5268. ISSN 1549-9626 Cheng, Chi Y., Ryley, Matthew S., Peach, Michael J.G., Tozer, David J., Helgaker, Trygve and Teale, Andrew M. (2015) Molecular properties in the Tamm–Dancoff approximation: indirect nuclear spin–spin coupling constants. Molecular Physics, 113 (13-14). pp. 1937-1951. ISSN 1362-3028 2014Borgoo, Alex, Teale, Andrew M. and Tozer, David J. (2014) Revisiting the density scaling of the non-interacting kinetic energy. Physical Chemistry Chemical Physics, 16 (28). pp. 14578-14583. ISSN 1463-9076 Teale, Andrew M., De Proft, F., Geerlings, P. and Tozer, David J. (2014) Atomic electron affinities and the role of symmetry between electron addition and subtraction in a corrected Koopmans approach. Physical Chemistry Chemical Physics, 16 (28). pp. 14420-14434. ISSN 1463-9084 |