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Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems.
Olsen JMH, Reine S, Vahtras O, Kjellgren E, Reinholdt P, Hjorth Dundas KO, Li X, Cukras J, Ringholm M, Hedegård ED, Di Remigio R, List NH, Faber R, Cabral Tenorio BN, Bast R, Pedersen TB, Rinkevicius Z, Sauer SPA, Mikkelsen KV, Kongsted J, Coriani S, Ruud K, Helgaker T, Jensen HJA, Norman P. Olsen JMH, et al. Among authors: norman p. J Chem Phys. 2020 Jun 7;152(21):214115. doi: 10.1063/1.5144298. J Chem Phys. 2020. PMID: 32505165
The A and B terms of magnetic circular dichroism revisited.
Solheim H, Ruud K, Coriani S, Norman P. Solheim H, et al. Among authors: norman p. J Phys Chem A. 2008 Oct 9;112(40):9615-8. doi: 10.1021/jp803135x. Epub 2008 Sep 4. J Phys Chem A. 2008. PMID: 18767781
Role of noncollinear magnetization for the first-order electric-dipole hyperpolarizability at the four-component Kohn-Sham density functional theory level.
Bast R, Saue T, Henriksson J, Norman P. Bast R, et al. Among authors: norman p. J Chem Phys. 2009 Jan 14;130(2):024109. doi: 10.1063/1.3054302. J Chem Phys. 2009. PMID: 19154021
The quadratic response function has been derived and implemented at the adiabatic four-component Kohn-Sham density functional theory level with inclusion of noncollinear spin magnetization and gradient corrections in the exchange-correlation functional-a work that is an extension …
The quadratic response function has been derived and implemented at the adiabatic four-component Kohn-Sham density functional theory level w …
1,321 results