Volume 107, Number 3, August 2014
|Number of page(s)||5|
|Section||Atomic, Molecular and Optical Physics|
|Published online||12 August 2014|
MCDHF calculation of electron affinities of Group I and Group IB atomic anions
1 Institute of Modern Physics, Fudan University - Shanghai 200433, China
2 Applied Ion Beam Physics Laboratory, Fudan University, Key Laboratory of the Ministry of Education Shanghai 200433, China
3 Shanghai Institute of Applied Physics, Chinese Academy of Sciences - Shanghai 201204, China
Received: 22 May 2014
Accepted: 17 July 2014
The affinities of negative ions for elements of Group I and Group IB have been calculated using the multi-configuration Dirac-Hartree-Fock (MCDHF) method. The difference between the total energy of the ground state of the atom and that of its anion is used to obtain the electron affinity. The theoretical results for these elements agree well with measured values, and have a deviation less than 0.5% with respect to measured values for most of the elements. With a systematic calculation method, this work gives a high-accuracy theoretical value for the electron affinities of the elements of Group I and Group IB. For element Fr, there is no experimental value.
PACS: 31.15.-p – Calculations and mathematical techniques in atomic and molecular physics / 31.15.ve – Electron correlation calculations for atoms and ions: ground state
© EPLA, 2014
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.