GROUND-STATE ELECTRON CONFIGURATION OF ELEMENT-111

被引：83

作者：

ELIAV, E

KALDOR, U

SCHWERDTFEGER, P

HESS, BA

ISHIKAWA, Y

机构：

[1] UNIV AUCKLAND,DEPT CHEM,AUCKLAND,NEW ZEALAND

[2] UNIV BONN,INST THEORET & PHYS CHEM,D-53115 BONN,GERMANY

[3] UNIV PUERTO RICO,DEPT CHEM,SAN JUAN,PR 00931

来源：

PHYSICAL REVIEW LETTERS | 1994年 / 73卷 / 24期

关键词：

D O I：

10.1103/PhysRevLett.73.3203

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The low-lying electronic states of element 111 are investigated by the relativistic coupled-cluster method based on the Dirac-Coulomb-Breit Hamiltonian. A large basis set (26s21? p? 16d9f7g5h) of Gaussian-type orbitals is used. In contrast to the lighter group 11 elements, the ground state of the atom is 6d97s2D522; the D322 state is higher by 2.69 eV, and the 6d107sS2 lies 2.95 eV above the D522. The reversal is ascribed to relativistic effects; without them, the S2 energy is 5.43 eV below the D2. The calculated electron affinity of the atom is 1.56 eV, and its ionization potential is 10.6 eV. © 1994 The American Physical Society.

引用

页码：3203 / 3206

页数：4