Using analytic Hartree-Fock wavefunctions and numerical perturbation procedure the radial dependence of the Sternheimer shielding-antishielding factor has been calculated for the argon-like core electrons in the 3d transition elements from Sc to Ni in the 3dn4s1 electronic configuration. The results would be useful in calculating the electro-field gradient arising from the various components of the conduction-electron density in these metals
The Sternheimer quadrupole antishielding factor γ<SUB>∞</SUB> including self-consistency effects hav...
The basis set dependence of density functional theory computed electric field gradients (EFG) in 3d ...
An SCF wavefunction has been used to calculate the dependence of the electric field gradient at the ...
New results for the uncoupled Hartree-Fock estimates of the 3d contribution to the ionic antishieldi...
The Sternheimer antishielding factor γ∞ has been calculated using nonrelativistic Hartree...
The Sternheimer valence shielding and antishielding factor R has been calculated for the isoelectron...
Approximate coupled Hartree-Fock estimates of the Sternheimer antishielding function gamma (r) are r...
Using nonrelativistic Hartree-Fock-Slater wave functions and Sternheimer's uncoupled perturbation-nu...
Using a method based on the many-body perturbation theory, the dipole and quadrupole polarizabilitie...
The radial dependence of Sternheimer quadrupole shielding-antishielding factor is reported for He, N...
Using Hartree-Fock-Slater wave functions and the Sternheimer perturbation-numerical method, values o...
Sternheimer quadrupole shielding-antishielding factors γ(r) are reported for the positive ions of B<...
It is shown for the first time that the Sternheimer correction associated with the overlap contribut...
Uncoupled Hartree-Fock perturbation theory calculations of the Sternheimer antishielding factor gamm...
Perturbation-numerical calculations have been performed using nonrelativistic Hartree-Fock-Slater wa...
The Sternheimer quadrupole antishielding factor γ<SUB>∞</SUB> including self-consistency effects hav...
The basis set dependence of density functional theory computed electric field gradients (EFG) in 3d ...
An SCF wavefunction has been used to calculate the dependence of the electric field gradient at the ...
New results for the uncoupled Hartree-Fock estimates of the 3d contribution to the ionic antishieldi...
The Sternheimer antishielding factor γ∞ has been calculated using nonrelativistic Hartree...
The Sternheimer valence shielding and antishielding factor R has been calculated for the isoelectron...
Approximate coupled Hartree-Fock estimates of the Sternheimer antishielding function gamma (r) are r...
Using nonrelativistic Hartree-Fock-Slater wave functions and Sternheimer's uncoupled perturbation-nu...
Using a method based on the many-body perturbation theory, the dipole and quadrupole polarizabilitie...
The radial dependence of Sternheimer quadrupole shielding-antishielding factor is reported for He, N...
Using Hartree-Fock-Slater wave functions and the Sternheimer perturbation-numerical method, values o...
Sternheimer quadrupole shielding-antishielding factors γ(r) are reported for the positive ions of B<...
It is shown for the first time that the Sternheimer correction associated with the overlap contribut...
Uncoupled Hartree-Fock perturbation theory calculations of the Sternheimer antishielding factor gamm...
Perturbation-numerical calculations have been performed using nonrelativistic Hartree-Fock-Slater wa...
The Sternheimer quadrupole antishielding factor γ<SUB>∞</SUB> including self-consistency effects hav...
The basis set dependence of density functional theory computed electric field gradients (EFG) in 3d ...
An SCF wavefunction has been used to calculate the dependence of the electric field gradient at the ...