Author Institution: IBM Research Dept., Watson LaboratoryWavefunctions are calculated for the ground states of these ions using the method of configuration interaction. The first configuration was made up of orbitals which were analytic fits to the Hartree Fock functions for these ions. Ten configurations were introduced which provided correlation among the outer shell electrons. Two configurations were included to allow modification of the 2s and 2p electrons. The improvement in the energy was about half the total correlation energy. The method of configuration interaction was then used to locate sets of 5 and 8 excited states of $^{1}P$ symmetry. These were used to make calculations of the polarizability and London Force Coefficients, usi...
$^{1}$G. Richards and A. Hall (private communication).Author Institution: Department of Chemistry, T...
Aims. The primary motivation of this paper is to provide accurate atomic properties of F-like ions w...
One-electron calculations of the optical excitation energy of the F centre in NaF are carried out to...
Author Institution: IBM Research Dept., Watson LaboratoryWavefunctions are calculated for the ground...
Hartree-Fock energies have been calculated for 333 valence states of atoms and ions of the second ro...
In the first part of this work, a distribution function P(012) for the interelectronic angle in atom...
Author Institution: Laboratoire de Physique Mol\'eculaire et des Collisions, Technop\^ole 2000In ord...
Correlated wave functions of the configuration-interaction type are constructed for the ground state...
Graduation date: 1964A configuration-interaction determination of wave\ud functions has been made fo...
Harmonium atoms, i.e. assemblies of electrons trapped in a harmonic potential, are encountered in di...
Large-scale multiconfiguration Dirac-Hartree-Fock calculations are provided for the n <= 5 states...
When used in conjunction with appropriate extrapolation schemes, full configuration interaction (FCI...
ABSTRACT: In this article, the angular correlated configuration interaction method previously introd...
Completely numerical multiconfiguration Hartree-Fock (MCHF) methods are used to calculate the photoi...
It is ordinarily possible to simplify the treatment of the dynamics of a general polyatomic system b...
$^{1}$G. Richards and A. Hall (private communication).Author Institution: Department of Chemistry, T...
Aims. The primary motivation of this paper is to provide accurate atomic properties of F-like ions w...
One-electron calculations of the optical excitation energy of the F centre in NaF are carried out to...
Author Institution: IBM Research Dept., Watson LaboratoryWavefunctions are calculated for the ground...
Hartree-Fock energies have been calculated for 333 valence states of atoms and ions of the second ro...
In the first part of this work, a distribution function P(012) for the interelectronic angle in atom...
Author Institution: Laboratoire de Physique Mol\'eculaire et des Collisions, Technop\^ole 2000In ord...
Correlated wave functions of the configuration-interaction type are constructed for the ground state...
Graduation date: 1964A configuration-interaction determination of wave\ud functions has been made fo...
Harmonium atoms, i.e. assemblies of electrons trapped in a harmonic potential, are encountered in di...
Large-scale multiconfiguration Dirac-Hartree-Fock calculations are provided for the n <= 5 states...
When used in conjunction with appropriate extrapolation schemes, full configuration interaction (FCI...
ABSTRACT: In this article, the angular correlated configuration interaction method previously introd...
Completely numerical multiconfiguration Hartree-Fock (MCHF) methods are used to calculate the photoi...
It is ordinarily possible to simplify the treatment of the dynamics of a general polyatomic system b...
$^{1}$G. Richards and A. Hall (private communication).Author Institution: Department of Chemistry, T...
Aims. The primary motivation of this paper is to provide accurate atomic properties of F-like ions w...
One-electron calculations of the optical excitation energy of the F centre in NaF are carried out to...