Relativistic configuration-interaction calculations have been performed for anion binding energies of the entire actinide row using a corelike treatment of the 5f subshell: the same occupancy and universal jls restrictions are applied to the subshell throughout the basis of each neutral and anion calculation. We predict bound 7p attachments to all actinide ground state configurations except Fm, Md, and No. Additional anion bound states are formed by 7p attachment to excited thresholds in Pa and Lr as well as 7s attachments relative to excited open- s thresholds in Th, Pa, U, and Np. Of the 41 bound actinide anion states presented, over half are characterized here for the first time. The most unusual case is Pa-, where these ab initio calcul...
Both relativistic energy-consistent small-core ab initio pseudopotential and fully relativistic dens...
The isolated gas-phase actinide dioxide dications, AnO22+, were evaluated by DFT and coupled cluster...
The importance of spin–orbit effects on the predictions of energetic properties of actinide compound...
Relativistic configuration-interaction calculations have been performed for anion states representin...
Relativistic configuration-interaction calculations have been performed for anion states representin...
In this chapter, the author concentrates on the anion work, which has identified 114 bound states in...
Valence shell relativistic configuration interaction calculations for the 7p attachment to the Pa I ...
Relativistic configuration-interaction calculations, including valence and some shallow core-valence...
Valence shell relativistic configuration-interaction calculations for 6p attachments to the Pr groun...
Valence shell relativistic configuration interaction calculations yield 15 bound states for [Formula...
Recent studies indicate that several bound states exist for some negative ions of the lanthanides. I...
New basis sets of the atomic natural orbital (ANO) type have been developed for the actinide atoms A...
ABSTRACT: The problem of choosing appropriate atomic orbital basis sets for ab initio calculations o...
Author Institution: San Francisco, CA 94019Actinyl ions, \mbox{AnO$_2\,^{2+}$}, and the correspondin...
Evaluating the nature of chemical bonding for actinide elements represents one of the most important...
Both relativistic energy-consistent small-core ab initio pseudopotential and fully relativistic dens...
The isolated gas-phase actinide dioxide dications, AnO22+, were evaluated by DFT and coupled cluster...
The importance of spin–orbit effects on the predictions of energetic properties of actinide compound...
Relativistic configuration-interaction calculations have been performed for anion states representin...
Relativistic configuration-interaction calculations have been performed for anion states representin...
In this chapter, the author concentrates on the anion work, which has identified 114 bound states in...
Valence shell relativistic configuration interaction calculations for the 7p attachment to the Pa I ...
Relativistic configuration-interaction calculations, including valence and some shallow core-valence...
Valence shell relativistic configuration-interaction calculations for 6p attachments to the Pr groun...
Valence shell relativistic configuration interaction calculations yield 15 bound states for [Formula...
Recent studies indicate that several bound states exist for some negative ions of the lanthanides. I...
New basis sets of the atomic natural orbital (ANO) type have been developed for the actinide atoms A...
ABSTRACT: The problem of choosing appropriate atomic orbital basis sets for ab initio calculations o...
Author Institution: San Francisco, CA 94019Actinyl ions, \mbox{AnO$_2\,^{2+}$}, and the correspondin...
Evaluating the nature of chemical bonding for actinide elements represents one of the most important...
Both relativistic energy-consistent small-core ab initio pseudopotential and fully relativistic dens...
The isolated gas-phase actinide dioxide dications, AnO22+, were evaluated by DFT and coupled cluster...
The importance of spin–orbit effects on the predictions of energetic properties of actinide compound...