Constraint satisfaction in local and gradient susceptibility approximations: Application to a van der Waals density functional

被引:177
作者
Dobson, JF
Dinte, BP
机构
[1] Faculty of Science and Technology, Griffith University, Nathan, QLD
关键词
D O I
10.1103/PhysRevLett.76.1780
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We show how charge conservation and reciprocity can be built into local density or gradient approximations for density-density response functions (susceptibilities). We apply these ideas to derive from first principles a variant of the Rapcewicz-Ashcroft formula for the van der Waals interaction. We also discuss how improved formulas may be obtained.
引用
收藏
页码:1780 / 1783
页数:4
相关论文
共 15 条
[1]  
[Anonymous], 1994, TOPICS CONDENSED MAT
[2]   KOHNS THEOREM AND CORRELATION-FUNCTIONS FOR A FERMI-LIQUID [J].
BEDELL, KS ;
FARINAS, PF .
PHYSICAL REVIEW LETTERS, 1995, 74 (21) :4285-4288
[3]  
DOBSON JF, 1993, AUST J PHYS, V46, P391
[4]   HARMONIC-POTENTIAL THEOREM - IMPLICATIONS FOR APPROXIMATE MANY-BODY THEORIES [J].
DOBSON, JF .
PHYSICAL REVIEW LETTERS, 1994, 73 (16) :2244-2247
[5]   DYNAMIC REAL-SPACE ELECTRONIC RESPONSE OF THE LANG-KOHN JELLIUM HALF-SPACE - ADSORBATE DAMPING INCLUDING EXCHANGE AND CORRELATION [J].
DOBSON, JF ;
HARRIS, GH .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1986, 19 (21) :3971-3981
[6]   THE DENSITY FUNCTIONAL FORMALISM, ITS APPLICATIONS AND PROSPECTS [J].
JONES, RO ;
GUNNARSSON, O .
REVIEWS OF MODERN PHYSICS, 1989, 61 (03) :689-746
[7]   SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].
KOHN, W ;
SHAM, LJ .
PHYSICAL REVIEW, 1965, 140 (4A) :1133-&
[8]  
KOHN W, COMMUNICATION
[9]   EFFECT OF PLASMON DISPERSION ON VANDERWAALS INTERACTION OF MOLECULES NEAR A METAL-SURFACE [J].
MAHANTY, J ;
PARANJAPE, BV .
SURFACE SCIENCE, 1988, 202 (1-2) :335-342
[10]   VANDERWAALS INTERACTION BETWEEN A MOLECULE AND A METAL-SURFACE - EFFECT OF SPATIAL-DISPERSION [J].
MAHANTY, J ;
PARANJAPE, BV .
SOLID STATE COMMUNICATIONS, 1977, 24 (09) :651-653