PREDICTIONS OF STABLE YB- IN THE P0(1/2) STATE - THE IMPORTANCE OF SPIN-ORBIT-COUPLING

被引:33
作者
VOSKO, SH
CHEVARY, JA
MAYER, IL
机构
[1] Department of Physics, University of Toronto, Toronto, Ontario
关键词
D O I
10.1088/0953-4075/24/8/005
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Density functional theory calculations on Yb- using the Hartree-Fock system and the analogous Dirac-Hartree-Fock methods predict that Yb- is stable in the P-degrees-1/2 state. The electron affinity obtained after the correlation energy functionals used are calibrated against Ca- and Lu is 2 +/- 1 mHartree (54 +/- 27 meV). The calculations indicate that the P-degrees-3/2 state is unlikely to be bound due to spin-orbit coupling reducing its binding energy.
引用
收藏
页码:L225 / L231
页数:7
相关论文
共 21 条
[1]   ELECTRON-AFFINITIES OF THE LANTHANIDES [J].
BRATSCH, SG .
CHEMICAL PHYSICS LETTERS, 1983, 98 (02) :113-117
[2]   LASER PHOTOELECTRON SPECTROMETRY OF SC- AND Y- - A DETERMINATION OF THE ORDER OF ELECTRON FILLING IN TRANSITION-METAL ANIONS [J].
FEIGERLE, CS ;
HERMAN, Z ;
LINEBERGER, WC .
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1981, 23 (04) :441-450
[3]   BINDING-ENERGIES FOR P-ELECTRONS IN NEGATIVE ALKALINE-EARTH ELEMENTS [J].
FISCHER, CF .
PHYSICAL REVIEW A, 1989, 39 (03) :963-970
[4]   GROUND-STATES OF CA- AND SC- FROM 2 THEORETICAL POINTS-OF-VIEW [J].
FISCHER, CF ;
LAGOWSKI, JB ;
VOSKO, SH .
PHYSICAL REVIEW LETTERS, 1987, 59 (20) :2263-2266
[5]  
FISCHER CF, 1987, COMPUT PHYS COMMUN, V43, P355
[6]   THE NEGATIVE-IONS OF STRONTIUM AND BARIUM [J].
GARWAN, MA ;
KILIUS, LR ;
LITHERLAND, AE ;
NADEAU, MJ ;
ZHAO, XL .
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 1990, 52 (3-4) :512-516
[7]   AN ATOMIC MULTICONFIGURATIONAL DIRAC-FOCK PACKAGE [J].
GRANT, IP ;
MCKENZIE, BJ ;
NORRINGTON, PH ;
MAYERS, DF ;
PYPER, NC .
COMPUTER PHYSICS COMMUNICATIONS, 1980, 21 (02) :207-231
[8]   STABLE NEGATIVE-IONS OF THE HEAVY ALKALINE-EARTH ATOMS [J].
KIM, LH ;
GREENE, CH .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1989, 22 (08) :L175-L182
[9]   SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].
KOHN, W ;
SHAM, LJ .
PHYSICAL REVIEW, 1965, 140 (4A) :1133-&
[10]   AN ANALYSIS OF LOCAL AND GRADIENT-CORRECTED CORRELATION-ENERGY FUNCTIONALS USING ELECTRON REMOVAL ENERGIES [J].
LAGOWSKI, JB ;
VOSKO, SH .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1988, 21 (01) :203-228