Ab initio calculation of vibrational frequencies in a glassy state of selenium
We used the density functional theory to calculate the vibrational frequencies of clusters of atoms. We obtained the bond distances and angles for which the energy of the Schršdinger equation is minimum. We found the bond distance between two Se atoms to be 232.1 pm when double zeta wave function wa...
Saved in:
Main Authors: | Ahmad Nazrul Rosli,, Hasan Abu Kassim,, Keshav N. Shrivastava, |
---|---|
Format: | Article |
Language: | English |
Published: |
Universiti Kebangsaan Malaysia
2010
|
Online Access: | http://journalarticle.ukm.my/7332/1/01_Md_Yeaminhossain.pdf http://journalarticle.ukm.my/7332/ http://www.ukm.my/jsm/english_journals/vol39num2_2010/vol39num2_2010pg281-283.html |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
-
Ab initio calculations of vibrational frequencies in a glassy state of selenium
by: Rosli, A.N., et al.
Published: (2010) -
Ab initio calculation of vibrational frequencies of AsO glass
by: Rosli, A.N., et al.
Published: (2010) -
Ab Initio Calculation of Vibrational Frequencies of ZnSe and the Raman Spectra
by: Ahmad Nazrul, Rosli,
Published: (2015) -
Ab initio calculation of vibrational frequencies of ZnSe and the Raman spectra
by: A.N., Rosli,, et al.
Published: (2015) -
Ab initio calculation of the electronic structure of Fe and Cr interlayers
by: Ahmad Zabidi, N., et al.
Published: (2010)