Testing the kinetic energy functional: Kinetic energy density as a density functional
作者： Eunji Sim , Joe Larkin , Kieron Burke , Charles W. Bock
DOI: 10.1063/1.1565316
关键词:
摘要: … A useful tool in this search for an accurate approximation to Ts is the kinetic energy density. By a kinetic energy density, we mean any function over real space that integrates …
scitation.org
elsevier.com
harvard.edu
aip.org
sci-hub.se 参考文章(33)
Theoretical methods in condensed phase chemistry Kluwer Academic Publishers. ,(2002) , 10.1007/0-306-46949-9
Density Functionals: Theory and Applications LNP. ,vol. 500, ,(1998) , 10.1007/BFB0106730
P García-González, JE Alvarellos, E Chacón, None, KINETIC-ENERGY DENSITY FUNCTIONALS BASED ON THE HOMOGENEOUS RESPONSE FUNCTION APPLIED TO ONE-DIMENSIONAL FERMION SYSTEMS Physical Review A. ,vol. 57, pp. 4192- 4200 ,(1998) , 10.1103/PHYSREVA.57.4192
Lin-Wang Wang, Michael P. Teter, Kinetic-energy functional of the electron density. Physical Review B. ,vol. 45, pp. 13196- 13220 ,(1992) , 10.1103/PHYSREVB.45.13196
Mel Levy, Hui Ou-Yang, Exact properties of the Pauli potential for the square root of the electron density and the kinetic energy functional Physical Review A. ,vol. 38, pp. 625- 629 ,(1988) , 10.1103/PHYSREVA.38.625
D. R. Murphy, Sixth-order term of the gradient expansion of the kinetic-energy density functional Physical Review A. ,vol. 24, pp. 1682- 1688 ,(1981) , 10.1103/PHYSREVA.24.1682
Garnet Kin-Lic Chan, Aron J. Cohen, Nicholas C. Handy, Thomas–Fermi–Dirac–von Weizsäcker models in finite systems Journal of Chemical Physics. ,vol. 114, pp. 631- 638 ,(2001) , 10.1063/1.1321308
P García-González, JE Alvarellos, E Chacón, None, Nonlocal kinetic-energy-density functionals Physical Review B. ,vol. 53, pp. 9509- 9512 ,(1996) , 10.1103/PHYSREVB.53.9509
Michael Foley, Paul A. Madden, Further orbital-free kinetic-energy functionals for ab initio molecular dynamics. Physical Review B. ,vol. 53, pp. 10589- 10598 ,(1996) , 10.1103/PHYSREVB.53.10589
Weitao Yang, Gradient correction in Thomas-Fermi theory. Physical Review A. ,vol. 34, pp. 4575- 4585 ,(1986) , 10.1103/PHYSREVA.34.4575