Please use this identifier to cite or link to this item:
|Title:||DFT approach for electron affinity of negative atomic ions||Authors:||Guo-xin, C.
|Issue Date:||26-Jun-1998||Citation:||Guo-xin, C.,Ong, P.P.,Ting, L. (1998-06-26). DFT approach for electron affinity of negative atomic ions. Chemical Physics Letters 290 (1-3) : 211-215. ScholarBank@NUS Repository.||Abstract:||A simple modified density function theory (DFT) was used to calculate energies of all negative atomic ions up to Sc-. Selected heavier anions were also calculated. Electron affinities (EA) of these anions are reported and compared, where available, with earlier theoretical and experimental results. These comparisons show that this simple modified DFT can yield rather accurate electron correlation (EC) energies which are crucial for calculating the EA of anions. In addition, the importance of relativistic effects is evident.||Source Title:||Chemical Physics Letters||URI:||http://scholarbank.nus.edu.sg/handle/10635/96215||ISSN:||00092614|
|Appears in Collections:||Staff Publications|
Show full item record
Files in This Item:
There are no files associated with this item.
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.