DENSITY FUNCTIONAL APPROXIMATION FOR THE KINETIC-ENERGY OF INDEPENDENT ELECTRONS IN ONE DIMENSION

被引:4
作者
COMBARIZA, E
CHACON, E
TARAZONA, P
机构
[1] UNIV AUTONOMA MADRID, CSIC, INST CIENCIA MAT, E-28049 MADRID, SPAIN
[2] UNIV AUTONOMA MADRID, DEPT FIS MAT CONDENSADA, E-28049 MADRID, SPAIN
关键词
D O I
10.1016/0378-4371(92)90116-8
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We present an explicit approximation for the kinetic energy of independent electrons in one dimension, based on the averaged-density approximation. This non-local approximation is compared with the gradient expansion and the exact results for a series of characteristic problems, to establish their relative accuracy. Unlike other previous studies we have carried out the full minimization of the energy, instead of the simple evaluation of the kinetic energy with the exact density distribution, which leads to inaccurate valuations of the approximations.
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页码:225 / 240
页数:16
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