TY - JOUR
T1 - Excitation energies from time-dependent density-functional theory
AU - Petersilka, M.
AU - Gossmann, U. J.
AU - Gross, E. K.U.
PY - 1996
Y1 - 1996
N2 - A new density-functional approach to calculate the excitation spectrum of many-electron systems is proposed. It is shown that the full linear density response of the interacting system, which has poles at the exact excitation energies, can rigorously be expressed in terms of the response function of the noninteracting (Kohn-Sham) system and a frequency-dependent exchange-correlation kernel. Using this expression, the poles of the full response function are obtained by systematic improvement upon the poles of the Kohn-Sham response function. Numerical results are presented for atoms.
AB - A new density-functional approach to calculate the excitation spectrum of many-electron systems is proposed. It is shown that the full linear density response of the interacting system, which has poles at the exact excitation energies, can rigorously be expressed in terms of the response function of the noninteracting (Kohn-Sham) system and a frequency-dependent exchange-correlation kernel. Using this expression, the poles of the full response function are obtained by systematic improvement upon the poles of the Kohn-Sham response function. Numerical results are presented for atoms.
UR - http://www.scopus.com/inward/record.url?scp=0012459223&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.76.1212
DO - 10.1103/PhysRevLett.76.1212
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AN - SCOPUS:0012459223
SN - 0031-9007
VL - 76
SP - 1212
EP - 1215
JO - Physical Review Letters
JF - Physical Review Letters
IS - 8
ER -