On Time-Independent Density-Functional Theories for Excited States
作者： Mel Levy
DOI: 10.1007/978-1-4615-4715-0_19
关键词:
摘要: Ground-state density-functional theory (DFT) is now routinely used and generally provides the most powerful efficient method today for electronic structure calculations [1, 2, 3, 4, 5, 6, 7, 8, 9]. My purpose here to briefly review aspects of several excited-state formulations that are closely related ground-state time-independent Hohenberg-Kohn theorem. The appealing time-dependent forexcited states [10] was described at this conference by Gross.
springer.com
sci-hub.st 参考文章(19)
Á Nagy, Density functional theory for excited states Advances in Quantum Chemistry. ,vol. 29, pp. 159- 178 ,(1998) , 10.1016/S0065-3276(08)60268-3
Reiner M Dreizler, Joao da Providência, Density Functional Methods In Physics ,(1985)
Robert G. Parr, Density-functional theory of atoms and molecules ,(1989)
Density Functionals: Theory and Applications LNP. ,vol. 500, ,(1998) , 10.1007/BFB0106730
A K Theophilou, The energy density functional formalism for excited states Journal of Physics C: Solid State Physics. ,vol. 12, pp. 5419- 5430 ,(1979) , 10.1088/0022-3719/12/24/013
M. Levy, Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v-representability problem Proceedings of the National Academy of Sciences of the United States of America. ,vol. 76, pp. 6062- 6065 ,(1979) , 10.1073/PNAS.76.12.6062
C.-O. Almbladh, U. von Barth, Exact results for the charge and spin densities, exchange-correlation potentials, and density-functional eigenvalues Physical Review B. ,vol. 31, pp. 3231- 3244 ,(1985) , 10.1103/PHYSREVB.31.3231
John P. Perdew, Mel Levy, Comment on ``Significance of the highest occupied Kohn-Sham eigenvalue'' Physical Review B. ,vol. 56, pp. 16021- 16028 ,(1997) , 10.1103/PHYSREVB.56.16021
P. Hohenberg, W. Kohn, Inhomogeneous Electron Gas Physical Review. ,vol. 136, pp. 864- 871 ,(1964) , 10.1103/PHYSREV.136.B864
Mel Levy, Excitation energies from density-functional orbital energies. Physical Review A. ,vol. 52, ,(1995) , 10.1103/PHYSREVA.52.R4313