Exact exchange-correlation potential for a time-dependent two-electron system
نویسندگان
چکیده
منابع مشابه
v 1 9 S ep 1 99 8 Exact exchange - correlation potential for a time - dependent two electron system
We obtain an exact solution of the time-dependent Schrödinger equation for a two-electron system confined to a plane by an isotropic parabolic potential whose curvature is periodically modulated in time. From this solution we compute the exact time-dependent exchange correlation potential vxc which enters the Kohn-Sham equation of time-dependent density functional theory. Our exact result provi...
متن کاملUniversal dynamical steps in the exact time-dependent exchange-correlation potential.
We show that the exact exchange-correlation potential of time-dependent density-functional theory displays dynamical step structures that have a spatially nonlocal and time nonlocal dependence on the density. Using one-dimensional two-electron model systems, we illustrate these steps for a range of nonequilibrium dynamical situations relevant for modeling of photochemical or physical processes:...
متن کاملSystem-dependent exchange-correlation functional with exact asymptotic potential and εHOMO ≈ - I.
Density scaling considerations are used to derive an exchange-correlation explicit density functional that is appropriate for the electron deficient side of the integer and which recovers the exact r → ∞ asymptotic behaviour of the exchange-correlation potential. The functional has an unconventional mathematical form with parameters that are system-dependent; the parameters for an N-electron sy...
متن کاملReal-time electron dynamics with exact-exchange time-dependent density-functional theory.
The exact exchange potential in time-dependent density-functional theory is defined as an orbital functional through the time-dependent optimized effective potential (TDOEP) method. We numerically solve the TDOEP integral equation for the real-time nonlinear intersubband electron dynamics in a semiconductor quantum well with two occupied subbands. It is found that memory effects become signific...
متن کاملBeyond time-dependent exact exchange: the need for long-range correlation.
In the description of the interaction between electrons beyond the classical Hartree picture, bare exchange often yields a leading contribution. Here we discuss its effect on optical spectra of solids, comparing three different frameworks: time-dependent Hartree-Fock, a recently introduced combined density-functional and Green's function approaches applied to the bare exchange self-energy, and ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Review B
سال: 1999
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.59.7876