⒈ Xu G L,Liu X F,Xie H X,Zhang X Z,Liu Y F,Si3O cluster: excited properties under external electric field and oxygen-deficient defect models,Chinese Physics B，2011，20⑴：013101.
⒉ Xu G L,Liu X F,Xie H X,Zhang X Z,Liu Y F,Si2O2 molecule: structure of ground state and the excited properties under different external electric fields,Chinese Physics B，2010，19⑾：113101.
⒊ Xu G L,Xia Y Z,Jia G R,Liu Y F,Zhang X Z，The theoretical study on the potential energy curve for X 3Δ state of TiO molecule,Chinese Physics B，2010，19⑼：093102.
⒋ Xu G L,Chen J D,Xia Y Z,Liu X F,Pseudo-potential investigations of structural,elastic and thermal properties of tungsten disilicide，Chinese Physics B，2009，18⑻：3495-3499
⒌ Xu G L,Chen J D,Chen D,Ma J Z,First-principles calculation of elastic and thermodynamic properties of Ni2MnGa Heusler alloy，Chinese Physics B，2009，18⑵：744-748
⒍ Xu G L,Lv W J,Liu Y F,Zhu Z L,Zhang X Z,Sun J F,The theoretical study on the potential energy curves for X1∑+,A1∏ and C1∑- states of SiO molecule，Chinese Physics B，2008，17⑿：4481-4484.
⒎ Xu G L,Lv W J,Liu Y F,Computational notes on the theoretical study on the potential energy curves for X 1Σ+,A 1 and 11Σ- states of CO molecule,J of Molecular Structure: THEOCHEM,2008，866：79-80.
