(time-dependent) density functional theory;
dynamic exchange-correlation potentials;
D O I:
10.1016/S1386-9477(97)00041-6
中图分类号:
TB3 [工程材料学];
学科分类号:
0805 ;
080502 ;
摘要:
Recent progress in the formulation of a fully dynamical local approximation to time-dependent density functional theory (TD-DFT) appeals to the longitudinal and transverse components of the long-wavelength exchange and correlation kernel in the homogeneous electron gas, f(xc). We extend to the two-dimensional longitudinal and transverse case our work on the 3D f(xc) [J. Phys.: Condens. Matter 9 (1997) 475], which accounts for two-pair excitations through an approximate decoupling of the equation of motion for the current-current response function. We present numerical results and compare with asymptotic behaviours and previous approximations. (C) 1997 Elsevier Science B.V. All rights reserved.
机构:
Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USAUniv Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA
Kanungo, Bikash
Gavini, Vikram
论文数: 0引用数: 0
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机构:
Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA
Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USAUniv Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA
Gavini, Vikram
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY,
2019,
257