نتایج جستجو برای: xc
تعداد نتایج: 1429 فیلتر نتایج به سال:
A robust and efficient frequency dependent and nonlocal exchange correlation f(xc)(r,r(');omega) is derived by imposing time-dependent density-functional theory (TDDFT) to reproduce the many-body diagrammatic expansion of the Bethe-Salpeter polarization function. As an illustration, we compute the optical spectra of LiF, SiO2, and diamond and the finite momentum transfer energy-loss spectrum of...
We show that the analytic structure of dynamical exchange-correlation (xc) kernels semiconductors and insulators can be sensed in terms its poles, which mark physically relevant frequencies system where counterphase motion discrete collective excitations occurs: If excited, modes counterbalance each other, making exhibit none at all or extremely weak density response. This property employed to ...
Due to inherent errors involved in the transformation of raw bioelectrical variables body fluids or composition estimates, sole use resistance (R), reactance (Xc), and phase angle (?) has been advocated when quantifying longitudinal changes. The aim this investigation was assess ability four bioimpedance analyzers detect changes induced by purposeful weight gain with training. Twenty-one traine...
In the context of inhomogeneous one-dimensional finite systems, recent numerical advances [Phys. Rev. B 103, 125155 (2021)] allow us to compute exact coupling-constant dependent exchange-correlation kernel ${f}_{\text{xc}}^{\ensuremath{\lambda}}(x,{x}^{\ensuremath{'}},\ensuremath{\omega})$ within linear response time-dependent density-functional theory. This permits an improved understanding gr...
We propose a spatially and temporally nonlocal exchange-correlation (xc) kernel for the spin-unpolarized fluid phase of ground-state jellium, use in time-dependent density functional linear response calculations. The is constructed to satisfy known properties exact xc kernel, accurately describe correlation energies bulk frequency-moment sum rules at wide range jellium densities, including thos...
First-principles calculations for underdoped La2−xSrxCuO4 (LSCO) have revealed a Fermi surface consisting of spin-triplet (KS) particles at the antinodal Fermi-pockets and spin-singlet (SS) nodal Fermi-arcs in presence AF local order. By performing unique method calculating electronic-spin state overdoped LSCO by measurement spin-correlation length neutron inelastic scattering, origin phase-dia...
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