Hyperfine Structure Constants on the Relativistic Coupled Cluster Level with Associated Uncertainties

por Haase, Pi A. B., Eliav, Ephraim, Iliaš, Miroslav, Borschevsky, Anastasia
Publicado 2020

Noniterative Doubles Corrections to the Random Phase and Higher Random Phase Approximations: Singlet and Triplet Excitation Energies

por Haase, Pi A. B., Faber, Rasmus, Provasi, Patricio F., Sauer, Stephan P. A.
Publicado 2019

Can the Dielectric Constant of Fullerene Derivatives Be Enhanced by Side-Chain Manipulation? A Predictive First-Principles Computational Study

por Sami, Selim, Haase, Pi A.B., Alessandri, Riccardo, Broer, Ria, Havenith, Remco W.A.
Publicado 2018

Relativistic DFT Calculations of Hyperfine Coupling Constants in 5d Hexafluorido Complexes: [ReF(6)](2−) and [IrF(6)](2−)

por Haase, Pi A. B., Repisky, Michal, Komorovsky, Stanislav, Bendix, Jesper, Sauer, Stephan P. A.
Publicado 2017

Toward Detection of the Molecular Parity Violation in Chiral Ru(acac)(3) and Os(acac)(3)

por Fiechter, Marit R., Haase, Pi A. B., Saleh, Nidal, Soulard, Pascale, Tremblay, Benoît, Havenith, Remco W. A., Timmermans, Rob G. E., Schwerdtfeger, Peter, Crassous, Jeanne, Darquié, Benoît, Pašteka, Lukáš F., Borschevsky, Anastasia
Publicado 2022