Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Physical review. B, Condensed matter

Dynamical exchange-correlation potentials for the electron liquid in the spin channel

Zhixin Qian, Giovanni Vignale

Published Nov 20, 2003• 13 citations
Publisher

Abstract

The components of the exchange-correlation kernel tensor of an isotropic electron liquid in the spin channel have the structure ${f}_{\mathrm{xc},\ensuremath{-}}^{L,T}(q,\ensuremath{\omega})\stackrel{\stackrel{\ensuremath{\rightarrow}}{q}0}{\ensuremath{\rightarrow}}A(\ensuremath{\omega}{)/q}^{2}{+B}^{L,T}(\ensuremath{\omega}),$ where L denotes the longitudinal component and T the transverse component relative to the direction of the wave vector $\mathbf{q}.$ In this paper we calculate analytically the high- and low-frequency limits of $A(\ensuremath{\omega})$ and ${B}^{L,T}(\ensuremath{\omega})$ and combine these limiting forms with the Kramers-Kr\"onig dispersion relations to obtain approximations for $A(\ensuremath{\omega})$ and ${B}^{L,T}(\ensuremath{\omega})$ at all frequencies.

DOI
10.1103/physrevb.68.195113

Related papers

Dynamical exchange-correlation potentials in the spin channel for the two-dimensional electron liquid

Zhixin Qian

The exchange-correlation kernel in the spin channel in an electron liquid has the structure ${f}_{xc,\ensuremath{-}}^{L,T}(q,\ensuremath{\omega})\stackrel{q\ensuremath{\rightarrow}0}{\ensuremath{\rightarrow}}A(\ensuremath{\omega})∕{q}^{2}+{B}^{L,T}(\ensuremath{\omega})$ in the limit of the long wavelength. Here $L$ denotes the longitudinal component and $T$ the transverse component relative to the direction of the wave vector $\mathbf{q}$. A collection of exact results for $A(\ensuremath{\omega})$ and ${B}^{L,T}(\ensuremath{\omega})$ is obtained at limiting low and high frequency, respectively, in two dimensions. Based on these results, we further give approximate interpolations for $A(\ensuremath{\omega})$ and ${B}^{L,T}(\ensuremath{\omega})$ at all frequencies in the paramagnetic case.

Physical Review B•Aug 10, 2005•3 citations

Long-wavelength behavior of the dynamical spin-resolved local-field factor in a two-dimensional electron liquid

Zhixin Qian

The high-frequency limits of the singular component $A(\ensuremath{\omega})$ of the small wave-vector expansion of the longitudinal $(L)$ and transverse $(T)$ components of the spin-resolved exchange-correlation kernel tensor ${f}_{xc,\ensuremath{\sigma}{\ensuremath{\sigma}}^{\ensuremath{'}}}^{L,T}(q,\ensuremath{\omega})=\ensuremath{-}v(q){G}_{\ensuremath{\sigma}{\ensuremath{\sigma}}^{\ensuremath{'}}}^{L,T}(q,\ensuremath{\omega})$ in a two-dimensional isotropic electron liquid with arbitrary spin polarization are studied. Here ${G}_{\ensuremath{\sigma}{\ensuremath{\sigma}}^{\ensuremath{'}}}^{L,T}(q,\ensuremath{\omega})$ is the spin-resolved local-field factor, $v(q)$ is the Coulomb interaction in momentum space, and $\ensuremath{\sigma}$ denotes spin. Particularly, the real part of $A(\ensuremath{\omega})$ is found to be logarithmically divergent at large $\ensuremath{\omega}$. The large wave-vector structure of the corresponding spin-resolved static structure factor is also established.

arXiv:cond-mat/0404325•Physical Review B•Dec 17, 2004•2 citations

Correlation effects and the high-frequency spin susceptibility of an electron liquid: Exact limits

Gurinder S. Atwal, Neil William Ashcroft

Spin correlations in an interacting electron liquid are studied in the high-frequency limit and in both two and three dimensions. The third-moment sum rule is evaluated and is used to derive exact limiting forms (at both long and short wavelengths) for the spin-antisymmetric local-field factor, ${limop}_{\stackrel{\ensuremath{\rightarrow}}{\ensuremath{\omega}}\ensuremath{\infty}}{G}_{\ensuremath{-}}(\mathbf{q},\ensuremath{\omega}).$ In two dimensions ${limop}_{\stackrel{\ensuremath{\rightarrow}}{\ensuremath{\omega}}\ensuremath{\infty}}{G}_{\ensuremath{-}}(\mathbf{q},\ensuremath{\omega})$ is found to diverge as $1/q$ at long wavelengths, and the spin-antisymmetric exchange-correlation kernel of time-dependent spin density functional theory diverges as ${1/q}^{2}$ in both two and three dimensions. These signal a failure of the local-density approximation, one that can be redressed by alternative approaches.

arXiv:cond-mat/0305195•Physical review. B, Condensed matter•Jun 27, 2003•6 citations

Electron correlation energies from scaled exchange-correlation kernels: Importance of spatial versus temporal nonlocality

Manfred Lein, Eberhard K. U. Gross, John P. Perdew

Within density functional theory, a coordinate-scaling relation for the coupling-constant dependence of the exchange-correlation kernel ${f}_{\mathrm{xc}}(\mathbf{r},{\mathbf{r}}^{\ensuremath{'}};\ensuremath{\omega})$ is utilized to express the correlation energy of a many-electron system in terms of ${f}_{\mathrm{xc}}.$ As a test of several of the available approximations for the exchange-correlation kernel, or equivalently the local-field factor, we calculate the uniform-gas correlation energy. While the random phase approximation ${(f}_{\mathrm{xc}}$ $=$ 0) makes the correlation energy per electron too negative by about 0.5 eV, the adiabatic local-density approximation $[{f}_{\mathrm{xc}}$ $=$ ${f}_{\mathrm{xc}}(q$ $=$ $0,\ensuremath{\omega}$ $=$ 0)] makes a comparable error in the opposite direction. The adiabatic nonlocal approximation $[{f}_{\mathrm{xc}}$ $=$ ${f}_{\mathrm{xc}}(q,\ensuremath{\omega}$ $=$ 0)] reduces this error to about 0.1 eV, and inclusion of the full frequency dependence $[{f}_{\mathrm{xc}}$ $=$ ${f}_{\mathrm{xc}}(q,\ensuremath{\omega})]$ in an approximate parametrization reduces it further to less than 0.02 eV. We also report the wave-vector analysis and the imaginary-frequency analysis of the correlation energy for each choice of kernel.

Physical review. B, Condensed matter•May 15, 2000•119 citations

Phase diagram of the anisotropic multichannel Kondo Hamiltonian revisited

Avraham Schiller, Lorenzo De Leo

The phase diagram of the multichannel Kondo Hamiltonian with an $XXZ$ spin-exchange anisotropy is revisited, revealing a far richer fixed-point structure than previously appreciated. For a spin-$\frac{1}{2}$ impurity and $k>2$ conduction-electron channels, a second ferromagneticlike domain is found deep inside the antiferromagnetic regime. The new domain extends above a (typically large) critical longitudinal coupling ${J}_{z}^{*}>0$ and is separated from the antiferromagnetic domain by a second Kosterlitz-Thouless line. A similar line of stable ferromagneticlike fixed points with a residual isospin-$\frac{1}{2}$ local moment is shown to exist for large ${J}_{z}⪢\ensuremath{\mid}{J}_{\ensuremath{\perp}}\ensuremath{\mid}>0$ and arbitrary $k$ and $s$ obeying $\ensuremath{\mid}k\ensuremath{-}2s\ensuremath{\mid}>1$. Here, ${J}_{z}$ is the longitudinal spin-exchange coupling, ${J}_{\ensuremath{\perp}}$ is the transverse coupling, and $s$ is the impurity spin. Near the free-impurity fixed point, spin-exchange anisotropy generates a highly relevant term for $s>1∕2$ and arbitrary $k$. Depending on the sign of ${J}_{z}^{2}\ensuremath{-}{J}_{\ensuremath{\perp}}^{2}$ and the parity of $2s$, the system flows either to a conventional Fermi liquid with no residual degeneracy or to a $k$-channel, spin-$\frac{1}{2}$ Kondo effect or to a line of ferromagneticlike fixed points with a residual isospin-$\frac{1}{2}$ local moment. These results are obtained through a combination of perturbative renormalization-group techniques, Abelian bosonization, a strong-coupling expansion in $1∕{J}_{z}$, and explicit numerical renormalization-group calculations.

arXiv:cond-mat/0605474•Physical Review B•Feb 14, 2008•18 citations

A time-dependent spin density functional theory for the dynamical spin susceptibility

K. L. Liu, S. H. Vosko

Within the framework of the time-dependent spin density functional formalism, we study the dynamical spin susceptibility [Formula: see text] of a general system of interacting electrons in the presence of a static external scalar potential. Based on the stationary property of the action functional, a variational expression for the real part of [Formula: see text] is derived: [Formula: see text]. The result is valid for a general exchange-correlation (XC) action functional. In particular, the XC factor 1(q,ω) is manifestly dependent on q and ω. The imaginary part Im [Formula: see text] is then determined through the Kramers–Kronig relation. Practical approximations for the required XC kernel are also discussed

Canadian Journal of Physics•Nov 1, 1989•40 citations
The components of the exchange-correlation kernel tensor of an isotropic electron liquid in the spin channel have the structure fxc,\ensuremath−L,T(q,\ensuremathω)\ensuremath→q\ensuremath→0A(\ensuremathω)/q2+BL,T(\ensuremathω),{f}_{\mathrm{xc},\ensuremath{-}}^{L,T}(q,\ensuremath{\omega})\stackrel{\stackrel{\ensuremath{\rightarrow}}{q}0}{\ensuremath{\rightarrow}}A(\ensuremath{\omega}{)/q}^{2}{+B}^{L,T}(\ensuremath{\omega}),fxc,\ensuremath−L,T​(q,\ensuremathω)\ensuremath→q\ensuremath→​0​A(\ensuremathω)/q2+BL,T(\ensuremathω), where L denotes the longitudinal component and T the transverse component relative to the direction of the wave vector q.\mathbf{q}.q. In this paper we calculate analytically the high- and low-frequency limits of A(\ensuremathω)A(\ensuremath{\omega})A(\ensuremathω) and BL,T(\ensuremathω){B}^{L,T}(\ensuremath{\omega})BL,T(\ensuremathω) and combine these limiting forms with the Kramers-Kr"onig dispersion relations to obtain approximations for A(\ensuremathω)A(\ensuremath{\omega})A(\ensuremathω) and BL,T(\ensuremathω){B}^{L,T}(\ensuremath{\omega})BL,T(\ensuremathω) at all frequencies.
The exchange-correlation kernel in the spin channel in an electron liquid has the structure ${f}_{xc,\ensuremath{-}}^{L,T}(q,\ensuremath{\omega})\stackrel{q\ensuremath{\rightarrow}0}{\ensuremath{\rightarrow}}A(\ensuremath{\omega})∕{q}^{2}+{B}^{L,T}(\ensuremath{\omega})$ in the limit of the long wavelength. Here LLL denotes the longitudinal component and TTT the transverse component relative to the direction of the wave vector q\mathbf{q}q. A collection of exact results for $A(\ensuremath{\omega})$ and ${B}^{L,T}(\ensuremath{\omega})$ is obtained at limiting low and high frequency, respectively, in two dimensions. Based on these results, we further give approximate interpolations for $A(\ensuremath{\omega})$ and ${B}^{L,T}(\ensuremath{\omega})$ at all frequencies in the paramagnetic case.
The high-frequency limits of the singular component $A(\ensuremath{\omega})$ of the small wave-vector expansion of the longitudinal (L)(L)(L) and transverse (T)(T)(T) components of the spin-resolved exchange-correlation kernel tensor ${f}_{xc,\ensuremath{\sigma}{\ensuremath{\sigma}}^{\ensuremath{'}}}^{L,T}(q,\ensuremath{\omega})=\ensuremath{-}v(q){G}_{\ensuremath{\sigma}{\ensuremath{\sigma}}^{\ensuremath{'}}}^{L,T}(q,\ensuremath{\omega})$ in a two-dimensional isotropic electron liquid with arbitrary spin polarization are studied. Here ${G}_{\ensuremath{\sigma}{\ensuremath{\sigma}}^{\ensuremath{'}}}^{L,T}(q,\ensuremath{\omega})$ is the spin-resolved local-field factor, v(q)v(q)v(q) is the Coulomb interaction in momentum space, and $\ensuremath{\sigma}$ denotes spin. Particularly, the real part of $A(\ensuremath{\omega})$ is found to be logarithmically divergent at large $\ensuremath{\omega}$. The large wave-vector structure of the corresponding spin-resolved static structure factor is also established.
Spin correlations in an interacting electron liquid are studied in the high-frequency limit and in both two and three dimensions. The third-moment sum rule is evaluated and is used to derive exact limiting forms (at both long and short wavelengths) for the spin-antisymmetric local-field factor, ${limop}_{\stackrel{\ensuremath{\rightarrow}}{\ensuremath{\omega}}\ensuremath{\infty}}{G}_{\ensuremath{-}}(\mathbf{q},\ensuremath{\omega}).$ In two dimensions ${limop}_{\stackrel{\ensuremath{\rightarrow}}{\ensuremath{\omega}}\ensuremath{\infty}}{G}_{\ensuremath{-}}(\mathbf{q},\ensuremath{\omega})$ is found to diverge as 1/q1/q1/q at long wavelengths, and the spin-antisymmetric exchange-correlation kernel of time-dependent spin density functional theory diverges as 1/q2{1/q}^{2}1/q2 in both two and three dimensions. These signal a failure of the local-density approximation, one that can be redressed by alternative approaches.
Within density functional theory, a coordinate-scaling relation for the coupling-constant dependence of the exchange-correlation kernel ${f}_{\mathrm{xc}}(\mathbf{r},{\mathbf{r}}^{\ensuremath{'}};\ensuremath{\omega})$ is utilized to express the correlation energy of a many-electron system in terms of fxc.{f}_{\mathrm{xc}}.fxc​. As a test of several of the available approximations for the exchange-correlation kernel, or equivalently the local-field factor, we calculate the uniform-gas correlation energy. While the random phase approximation (fxc{(f}_{\mathrm{xc}}(fxc​ === 0) makes the correlation energy per electron too negative by about 0.5 eV, the adiabatic local-density approximation [fxc[{f}_{\mathrm{xc}}[fxc​ === fxc(q{f}_{\mathrm{xc}}(qfxc​(q === $0,\ensuremath{\omega}$ === 0)] makes a comparable error in the opposite direction. The adiabatic nonlocal approximation [fxc[{f}_{\mathrm{xc}}[fxc​ === ${f}_{\mathrm{xc}}(q,\ensuremath{\omega}$ === 0)] reduces this error to about 0.1 eV, and inclusion of the full frequency dependence [fxc[{f}_{\mathrm{xc}}[fxc​ === ${f}_{\mathrm{xc}}(q,\ensuremath{\omega})]$ in an approximate parametrization reduces it further to less than 0.02 eV. We also report the wave-vector analysis and the imaginary-frequency analysis of the correlation energy for each choice of kernel.
The phase diagram of the multichannel Kondo Hamiltonian with an XXZXXZXXZ spin-exchange anisotropy is revisited, revealing a far richer fixed-point structure than previously appreciated. For a spin-12\frac{1}{2}21​ impurity and k>2k>2k>2 conduction-electron channels, a second ferromagneticlike domain is found deep inside the antiferromagnetic regime. The new domain extends above a (typically large) critical longitudinal coupling Jz∗>0{J}_{z}^{*}>0Jz∗​>0 and is separated from the antiferromagnetic domain by a second Kosterlitz-Thouless line. A similar line of stable ferromagneticlike fixed points with a residual isospin-12\frac{1}{2}21​ local moment is shown to exist for large ${J}_{z}⪢\ensuremath{\mid}{J}_{\ensuremath{\perp}}\ensuremath{\mid}>0$ and arbitrary kkk and sss obeying $\ensuremath{\mid}k\ensuremath{-}2s\ensuremath{\mid}>1$. Here, Jz{J}_{z}Jz​ is the longitudinal spin-exchange coupling, ${J}_{\ensuremath{\perp}}$ is the transverse coupling, and sss is the impurity spin. Near the free-impurity fixed point, spin-exchange anisotropy generates a highly relevant term for s>1∕2s>1∕2s>1∕2 and arbitrary kkk. Depending on the sign of ${J}_{z}^{2}\ensuremath{-}{J}_{\ensuremath{\perp}}^{2}$ and the parity of 2s2s2s, the system flows either to a conventional Fermi liquid with no residual degeneracy or to a kkk-channel, spin-12\frac{1}{2}21​ Kondo effect or to a line of ferromagneticlike fixed points with a residual isospin-12\frac{1}{2}21​ local moment. These results are obtained through a combination of perturbative renormalization-group techniques, Abelian bosonization, a strong-coupling expansion in 1∕Jz1∕{J}_{z}1∕Jz​, and explicit numerical renormalization-group calculations.
Within the framework of the time-dependent spin density functional formalism, we study the dynamical spin susceptibility [Formula: see text] of a general system of interacting electrons in the presence of a static external scalar potential. Based on the stationary property of the action functional, a variational expression for the real part of [Formula: see text] is derived: [Formula: see text]. The result is valid for a general exchange-correlation (XC) action functional. In particular, the XC factor 1(q,ω) is manifestly dependent on q and ω. The imaginary part Im [Formula: see text] is then determined through the Kramers–Kronig relation. Practical approximations for the required XC kernel are also discussed