Van der Waals coefficients for alkali metal clusters and their size dependence

被引:7
作者
Banerjee, A [1 ]
Harbola, MK
机构
[1] Ctr Adv Technol, Laser Phys Div, Indore 452013, India
[2] Indian Inst Technol, Dept Phys, Kanpur 208016, Uttar Pradesh, India
来源
PRAMANA-JOURNAL OF PHYSICS | 2006年 / 66卷 / 02期
关键词
metal clusters; response properties; van der Waals coefficients;
D O I
10.1007/BF02704395
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
In this paper we employ the hydrodynamic formulation of time-dependent density functional theory to obtain the van der Waals coefficients C-6 and C-8 of alkali metal clusters of various sizes including very large clusters. Such calculations become computation ally very demanding in the orbital-based Kohn-Sham formalism, but are quite simple in the hydrodynamic approach. We show that for interactions between the clusters of the same sizes, C-6 and C-8 scale as the sixth and the eighth power of the cluster radius, respectively, and approach their classically predicted values for the large size clusters.
引用
收藏
页码:423 / 433
页数:11
相关论文
共 31 条
[1]   CLUSTER-COLLISION FREQUENCY .1. THE LONG-RANGE INTERCLUSTER POTENTIAL [J].
AMADON, AS ;
MARLOW, WH .
PHYSICAL REVIEW A, 1991, 43 (10) :5483-5492
[2]   van der Waals interactions in density-functional theory [J].
Andersson, Y ;
Langreth, DC ;
Lundqvist, BI .
PHYSICAL REVIEW LETTERS, 1996, 76 (01) :102-105
[3]   Calculation of van der Waals coefficients in hydrodynamic approach to time-dependent density functional theory [J].
Banerjee, A ;
Harbola, MK .
JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (17) :7845-7851
[4]   Nonlinear polarizabilities of atoms from their ground-state densities [J].
Banerjee, A ;
Harbola, MK .
EUROPEAN PHYSICAL JOURNAL D, 1998, 1 (03) :265-269
[5]   Hydrodynamic approach to time-dependent density functional theory; Response properties of metal clusters [J].
Banerjee, A ;
Harbola, MK .
JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (14) :5614-5623
[6]   DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].
BECKE, AD .
PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100
[7]   THE PHYSICS OF SIMPLE METAL-CLUSTERS - SELF-CONSISTENT JELLIUM MODEL AND SEMICLASSICAL APPROACHES [J].
BRACK, M .
REVIEWS OF MODERN PHYSICS, 1993, 65 (03) :677-732
[8]   MULTIPOLE VIBRATIONS OF SMALL ALKALI-METAL SPHERES IN A SEMICLASSICAL DESCRIPTION [J].
BRACK, M .
PHYSICAL REVIEW B, 1989, 39 (06) :3533-3542
[9]   THEORETICAL-STUDIES OF VANDERWAALS MOLECULES AND INTERMOLECULAR FORCES [J].
BUCKINGHAM, AD ;
FOWLER, PW ;
HUTSON, JM .
CHEMICAL REVIEWS, 1988, 88 (06) :963-988
[10]  
Dalgarno A., 1967, ADV CHEM PHYS, V12, P143