Kinetic-energy density functionals based on the homogeneous response function applied to one-dimensional fermion systems

被引:25
作者
Garcia-Gonzalez, P
Alvarellos, JE
Chacon, E
机构
[1] Univ Nacl Educ Distancia, Dept Fis Fundamental, E-28080 Madrid, Spain
[2] CSIC, Inst Ciencia Mat, E-28049 Madrid, Spain
来源
PHYSICAL REVIEW A | 1998年 / 57卷 / 06期
关键词
D O I
10.1103/PhysRevA.57.4192
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Explicit kinetic-energy density functionals for noninteracting electron systems that are based on reproducing the linear response function in the homogeneous limit are the most accurate approximations to the exact Kohn-Sham functional. In this work we study several such models for one-dimensional systems. In this case, the geometrical simplicity allows the calculation of the static linear response resulting from these functionals for inhomogeneous systems. Likewise, the discussion of the energies and density profiles obtained is easier and clearer than that for more realistic problems. Special attention is paid to the application of explicit kinetic energy functionals to systems with odd and noninteger numb er of particles.
引用
收藏
页码:4192 / 4200
页数:9
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