Relativistic energies are computed for a series of j states corresponding to 1s22sm2pn (0?m?2; 0?n?6) configurations by solution of the hartree-fock-dirac equations. The j states calculated are those states whose eigenfunctions within a configuration correspond to a unique and maximum eigenvalue of the operator j2. In addition, average relativistic energies are obtained for all configurations considered. The two sets of results are compared, and in certain cases (for the 1s22p, 1s22p5, 1s22s22p, 1s 22s22p5 configurations) permit a determination of multiplet splittings (e(2p12/-2p 32/)). The results of these splittings are in excellent agreement with available experimental data. The present results also tend to confirm the assumption that th...
In this work, we present a linear-response formalism of the complex two-component Hartree-Fock Hamil...
Paper 767The multiconfiguration Dirac-Fock method allows to calculate the state of relativistic elec...
Excitation energies and lifetimes for the 213 lowest states of the n ≤ 5 configurations in B-like S ...
Hartree-Fock energies have been calculated for 333 valence states of atoms and ions of the second ro...
In this thesis the use of the Unrestricted Hartree-Fock technique augmented by many body perturbatio...
Energies of two-electron one-photon transitions from initial double K-hole states were computed usin...
Based on relativistic wave functions from multiconfiguration Dirac-Hartree-Fock and configuration in...
Relativistic configuration interaction results are presented for several B-like ions (Ge XXVIII, Rb ...
Author Institution: IBM Research Laboratory“The Hartree-Fock functions have been obtained for the is...
In this work we report progress in the development and implementation of quantum-mechanical methods ...
The purpose of this work is to analyze the relativistic Gaussian basis sets obtained with a recently...
Based on relativistic wave functions from multiconfiguration Dirac-Hartree-Fock and configuration in...
Abstract: The coupled cluster based linear response theory which is applicable to the direct calcula...
Relativistic basis sets for first-row atoms have been constructed by using the near-Hartree-Fock (no...
Energies of np (n=6-9), ns (n=7-9), nd (n=6-8), and nf (n=5-6) states in Tl I and Pb II are obtained...
In this work, we present a linear-response formalism of the complex two-component Hartree-Fock Hamil...
Paper 767The multiconfiguration Dirac-Fock method allows to calculate the state of relativistic elec...
Excitation energies and lifetimes for the 213 lowest states of the n ≤ 5 configurations in B-like S ...
Hartree-Fock energies have been calculated for 333 valence states of atoms and ions of the second ro...
In this thesis the use of the Unrestricted Hartree-Fock technique augmented by many body perturbatio...
Energies of two-electron one-photon transitions from initial double K-hole states were computed usin...
Based on relativistic wave functions from multiconfiguration Dirac-Hartree-Fock and configuration in...
Relativistic configuration interaction results are presented for several B-like ions (Ge XXVIII, Rb ...
Author Institution: IBM Research Laboratory“The Hartree-Fock functions have been obtained for the is...
In this work we report progress in the development and implementation of quantum-mechanical methods ...
The purpose of this work is to analyze the relativistic Gaussian basis sets obtained with a recently...
Based on relativistic wave functions from multiconfiguration Dirac-Hartree-Fock and configuration in...
Abstract: The coupled cluster based linear response theory which is applicable to the direct calcula...
Relativistic basis sets for first-row atoms have been constructed by using the near-Hartree-Fock (no...
Energies of np (n=6-9), ns (n=7-9), nd (n=6-8), and nf (n=5-6) states in Tl I and Pb II are obtained...
In this work, we present a linear-response formalism of the complex two-component Hartree-Fock Hamil...
Paper 767The multiconfiguration Dirac-Fock method allows to calculate the state of relativistic elec...
Excitation energies and lifetimes for the 213 lowest states of the n ≤ 5 configurations in B-like S ...