Atoms ground state configurations

Table 2. Atomic ground-state configurations for the neutral elements 103 to 172 and 184 according to Mann (35) and Fricke and Waber 85, 60), using self-consistent Dirac—Fock calculations... 

Chapter 9 Atomic Structure and the Periodic Law TABLE 9.1 Atomic Ground-State Configurations... 

III. The structure of the atomic ground state configurations for the limit 7 —> oo... 

Ill THE STRUCTURE OF THE ATOMIC GROUND STATE CONFIGURATIONS FOR THE LIMIT... 

Indeed this has been recognized for quite some time. For example, Izquierdo et al. point out that Fe dimer is not properly described if the pseudopotential is constructed from the atomic ground state configuration, 3d 4s Instead they use the more appropriate 3d 4s It is also well known that non-linear core corrections [Louie SG, Froyen S, Cohen ML (1982) Phys Rev B 26 1738] are instrumental to recover the right magnetic momentum even in many bulk systems... 

Fig. 2. Illustration of the energy difference between the trivalent and divalent states of the trivalent lanthanide metals, AE lanthanide with a divalent atomic ground state configuration this is the...

Associated with their strong tendency to condense occupancy in the lowest few orbitals, the NAOs on each center A typically separate into two distinct sets (i) the high-occupancy natural minimal basis (NMB) set, equal in number and type to the nominal minimal basis of occupied Hartree-Fock AOs in the atomic ground-state configuration, and (ii) the low-occupancy natural Rydberg basis (NRB) set, corresponding... 

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