Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/96215
Title: DFT approach for electron affinity of negative atomic ions
Authors: Guo-xin, C. 
Ong, P.P. 
Ting, L.
Issue Date: 26-Jun-1998
Source: 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

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