Items where Author is "Helgaker, Trygve"

Peach, Michael Joseph George and Tozer, David J. and Teale, Andrew M. and Helgaker, Trygve (2015) Fractional electron loss in approximate DFT and Hartree–Fock theory. Journal of Chemical Theory and Computation, 11 (11). pp. 5262-5268. ISSN 1549-9618

Cheng, Chi Y. and Ryley, Matthew S. and Peach, Michael and Tozer, David J. and 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 0026-8976

Peach, Michael J. G. and Benfield, Peter and Helgaker, Trygve and Tozer, David J. (2008) Excitation energies in density functional theory: An evaluation and a diagnostic test. Journal of Chemical Physics, 128 (4): ARTN 04411. ISSN 0021-9606

Peach, Michael J. G. and Tellgren, Erik I. and Salek, Pawe and Helgaker, Trygve and Tozer, David J. (2007) Structural and electronic properties of polvacetylene and polyyne from hybrid and coulomb-attenuated density functionals. Journal of Physical Chemistry A, 111 (46). pp. 11930-11935. ISSN 1089-5639