TY - JOUR
T1 - Time-dependent effective potential and exchange kernel of homogeneous electron gas
AU - Nazarov, V. U.
PY - 2013/4/19
Y1 - 2013/4/19
N2 - By minimizing the difference between the left- and the right-hand sides of the many-body time-dependent Schrödinger equation with the Slater-determinant wave function, we derive a nonadiabatic and self-interaction-free time-dependent single-particle effective potential, which is the generalization to the time-dependent case of the so-called localized Hartree-Fock potential. The new potential can be efficiently used within the framework of the time-dependent density-functional theory as we demonstrate by the evaluation of the wave vector and frequency-dependent exchange kernel fxh(q,ω) of the homogeneous electron gas. This is found to be nonsingular and causal, and it satisfies the positiveness of the dissipation, in contrast to the earlier known kernel from the first-order perturbation theory, which makes our fxh promising for applications.
AB - By minimizing the difference between the left- and the right-hand sides of the many-body time-dependent Schrödinger equation with the Slater-determinant wave function, we derive a nonadiabatic and self-interaction-free time-dependent single-particle effective potential, which is the generalization to the time-dependent case of the so-called localized Hartree-Fock potential. The new potential can be efficiently used within the framework of the time-dependent density-functional theory as we demonstrate by the evaluation of the wave vector and frequency-dependent exchange kernel fxh(q,ω) of the homogeneous electron gas. This is found to be nonsingular and causal, and it satisfies the positiveness of the dissipation, in contrast to the earlier known kernel from the first-order perturbation theory, which makes our fxh promising for applications.
UR - http://www.scopus.com/inward/record.url?scp=84877016831&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.87.165125
DO - 10.1103/PhysRevB.87.165125
M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???
AN - SCOPUS:84877016831
SN - 1098-0121
VL - 87
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 16
M1 - 165125
ER -