| 1 |
Four-Component Relativistic Calculations in Solution with the Polarizable Continuum Model of Solvation: Theory, Implementation, and Application to the Group 16 Dihydrides H2X (X = O, S, Se, Te, Po)
Di Remigio R, Bast R, Frediani L, Saue T
Journal of Physical Chemistry A, 119(21), 5061, 2015 |
| 2 |
Electric field effects on the shielding constants of noble gases: A four-component relativistic Hartree-Fock study
Pecul M, Saue T, Ruud K, Rizzo A
Journal of Chemical Physics, 121(7), 3051, 2004 |
| 3 |
Linear response at the 4-component relativistic level: Application to the frequency-dependent dipole polarizabilities of the coinage metal dimers
Saue T, Jensen HJA
Journal of Chemical Physics, 118(2), 522, 2003 |
| 4 |
On the performance of four-component relativistic density functional theory: Spectroscopic constants and dipole moments of the diatomics HX and XY (X,Y=F, Cl, Br, and I)
Fossgaard O, Gropen O, Valero MC, Saue T
Journal of Chemical Physics, 118(23), 10418, 2003 |
| 5 |
Bonding in the homologous series CsAu, CsAg, and CsCu studied at the 4-component density functional theory and coupled cluster levels
Fossgaard O, Gropen O, Eliav E, Saue T
Journal of Chemical Physics, 119(18), 9355, 2003 |
| 6 |
Diatomic molecules between very heavy elements of group 13 and group 17: A study of relativistic effects on bonding
Faegri K, Saue T
Journal of Chemical Physics, 115(6), 2456, 2001 |
| 7 |
Relativistic four-component calculations of indirect nuclear spin-spin couplings in MH4 (M=C, Si, Ge, Sn, Pb) and Pb(CH3)(3)H
Enevoldsen T, Visscher L, Saue T, Jensen HJA, Oddershede J
Journal of Chemical Physics, 112(8), 3493, 2000 |
| 8 |
Approximate relativistic electronic structure methods based on the quaternion modified Dirac equation
Visscher L, Saue T
Journal of Chemical Physics, 113(10), 3996, 2000 |
| 9 |
On the origin and contribution of the diamagnetic term in four-component relativistic calculations of magnetic properties
Aucar GA, Saue T, Visscher L, Jensen HJA
Journal of Chemical Physics, 110(13), 6208, 1999 |
| 10 |
Quaternion symmetry in relativistic molecular calculations: The Dirac-Hartree-Fock method
Saue T, Jensen HJA
Journal of Chemical Physics, 111(14), 6211, 1999 |
