Diagrammatic self-energy approximations and the total particle number -: art. no. 235106

被引:31
作者
Schindlmayr, A
García-González, P
Godby, RW
机构
[1] Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany
[2] Univ Nacl Educ Distancia, Dept Fis Fundamental, E-28080 Madrid, Spain
[3] Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England
关键词
D O I
10.1103/PhysRevB.64.235106
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
There is increasing interest in many-body perturbation theory as a practical tool for the calculation of ground-state properties. As a consequence, unambiguous sum rules such as the conservation of particle number under the influence of the Coulomb interaction have acquired an importance that did not exist for calculations of excited-state properties. In this paper we obtain a rigorous, simple relation whose fulfilment guarantees particle-number conservation in a given diagrammatic self-energy approximation. Hedin's G(0)W(0) approximation does not satisfy this relation and hence violates the particle-number sum rule. Very precise calculations for the homogeneous electron gas and a model inhomogeneous electron system allow the extent of the nonconservation to be estimated.
引用
收藏
页码:2351061 / 2351066
页数:6
相关论文
共 37 条
[1]   Variational total energies from φ- and Ψ-derivable theories [J].
Almbladh, CO ;
Von Barth, U ;
Van Leeuwen, R .
INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 1999, 13 (5-6) :535-541
[2]   The GW method [J].
Aryasetiawan, F ;
Gunnarsson, O .
REPORTS ON PROGRESS IN PHYSICS, 1998, 61 (03) :237-312
[3]   Multiple plasmon satellites in Na and Al spectral functions from ab initio cumulant expansion [J].
Aryasetiawan, F ;
Hedin, L ;
Karlsson, K .
PHYSICAL REVIEW LETTERS, 1996, 77 (11) :2268-2271
[4]   CONSERVATION LAWS AND CORRELATION FUNCTIONS [J].
BAYM, G ;
KADANOFF, LP .
PHYSICAL REVIEW, 1961, 124 (02) :287-+
[5]   SELF-CONSISTENT APPROXIMATIONS IN MANY-BODY SYSTEMS [J].
BAYM, G .
PHYSICAL REVIEW, 1962, 127 (04) :1391-&
[6]   THE RADIATION THEORIES OF TOMONAGA, SCHWINGER, AND FEYNMAN [J].
DYSON, FJ .
PHYSICAL REVIEW, 1949, 75 (03) :486-502
[7]   THE S-MATRIX IN QUANTUM ELECTRODYNAMICS [J].
DYSON, FJ .
PHYSICAL REVIEW, 1949, 75 (11) :1736-1755
[9]  
Fetter A. L., 1971, QUANTUM THEORY MANY
[10]   SPACE-TIME APPROACH TO QUANTUM ELECTRODYNAMICS [J].
FEYNMAN, RP .
PHYSICAL REVIEW, 1949, 76 (06) :769-789