Intermolecular interaction potentials of the methane dimer from the local density approximation

doi:10.1103/PhysRevA.69.034701

IMR OpenIR

	Intermolecular interaction potentials of the methane dimer from the local density approximation
	Chen, XR ; Bai, YL ; Zhu, J ; Yang, XD
通讯作者	Chen, XR(xrchen@126.com)
	2004-03-01
发表期刊	PHYSICAL REVIEW A
ISSN	1050-2947
卷号	69 期号:3 页码:3
摘要	The intermolecular interaction potentials of methane (CH4) dimer are calculated within the density functional theory in the local density approximation (LDA). It is found that the calculated potentials have minima when the intermolecular distance of CH4 dimer is about 7.0 a.u., which is in good agreement with the experiment. The depth of the potential is 0.017 eV. The results obtained by our LDA calculations seem to agree well with those obtained by MP2, MP3, and CCSD from the Moller-Plesset and coupled cluster methods by Tsuzuki and with the experimental data.
DOI	10.1103/PhysRevA.69.034701
收录类别	SCI
语种	英语
WOS研究方向	Optics ; Physics
WOS类目	Optics ; Physics, Atomic, Molecular & Chemical
WOS记录号	WOS:000220605200119
出版者	AMERICAN PHYSICAL SOC
引用统计
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/81420
通讯作者	Chen, XR
作者单位	1.Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China 2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China 3.Univ Tsukuba, Inst Phys, Tsukuba, Ibaraki 3058571, Japan 4.Yibin Univ, Dept Sci & Technol Eelectron Informat, Yibin 644000, Peoples R China
推荐引用方式 GB/T 7714	Chen, XR,Bai, YL,Zhu, J,et al. Intermolecular interaction potentials of the methane dimer from the local density approximation[J]. PHYSICAL REVIEW A,2004,69(3):3.
APA	Chen, XR,Bai, YL,Zhu, J,&Yang, XD.(2004).Intermolecular interaction potentials of the methane dimer from the local density approximation.PHYSICAL REVIEW A,69(3),3.
MLA	Chen, XR,et al."Intermolecular interaction potentials of the methane dimer from the local density approximation".PHYSICAL REVIEW A 69.3(2004):3.