# Constraint-based wave vector and frequency dependent exchange-correlation kernel of the uniform electron gas

@article{Ruzsinszky2020ConstraintbasedWV, title={Constraint-based wave vector and frequency dependent exchange-correlation kernel of the uniform electron gas}, author={Adrienn Ruzsinszky and Niraj K. Nepal and Jos{\'e} M. Pitarke and John P. Perdew}, journal={Physical Review B}, year={2020} }

According to time-dependent density functional theory, the exact exchange-correlation kernel f$_{xc}$(n, q, $\omega$) determines not only the ground-state energy but also the excited-state energies/lifetimes and time-dependent linear density response of an electron gas of uniform density n $=$ 3/(4$\pi$r$^3_s$). Here we propose a parametrization of this function based upon the satisfaction of exact constraints. For the static ($\omega$ = 0) limit, we modify the model of Constantin and Pitarke…

## 3 Citations

### Interpretations of ground-state symmetry breaking and strong correlation in wavefunction and density functional theories

- PhysicsProceedings of the National Academy of Sciences
- 2021

Time-dependent density functional theory is used to show quantitatively that the static charge-density wave in a low-density jellium is a soft plasmon, as found from the frequency moments of the spectral function, calculated from a recent constraint-based wavevector- and frequency-dependent jellsium exchange-correlation kernel.

### Formation energy puzzle in intermetallic alloys: Random phase approximation fails to predict accurate formation energies

- Materials Science
- 2020

We performed density functional calculations to estimate the formation energies of intermetallic alloys. We used two semilocal approximations, the generalized gradient approximation (GGA) by…

### Electronic Density Response of Warm Dense Matter

- Environmental Science
- 2022

Matter at extreme temperatures and pressures — commonly known as warm dense matter (WDM) in the literature — is ubiquitous throughout our Universe and occurs in a number of astrophysical objects such…

## References

SHOWING 1-10 OF 72 REFERENCES

### Exact dynamical exchange-correlation kernel of a weakly inhomogeneous electron gas.

- PhysicsPhysical review letters
- 2009

It is shown that in the limit of weak nonuniformity the coefficient alpha has a simple and exact expression in terms of the ground-state density and the frequency-dependent kernel of a uniform electron gas at the average density.

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

- Materials Science
- 2000

Within density functional theory, a coordinate-scaling relation for the coupling-constant dependence of the exchange-correlation kernel…

### Including nonlocality in the exchange-correlation kernel from time-dependent current density functional theory : Application to the stopping power of electron liquids

- Physics
- 2007

We develop a scheme for building the scalar exchange-correlation (XC) kernel of time-dependent density functional theory (TDDFT) from the tensorial kernel of time-dependent current density functional…

### Dynamical exchange-correlation potentials for an electron liquid

- Materials Science
- 2002

The imaginary parts of the exchange-correlation kernels ${f}_{\mathrm{xc}}^{L,T}(\ensuremath{\omega})$ in the longitudinal and transverse current-current response functions of a homogeneous electron…

### Simple dynamic exchange-correlation kernel of a uniform electron gas

- Physics
- 2007

We propose a simple dynamic exchange-correlation kernel of the uniform electron gas. We model the reduction of the electron-electron interaction due to the short-range exchange-correlation effects by…

### Excitation energies from time-dependent density-functional theory beyond the adiabatic approximation.

- PhysicsThe Journal of chemical physics
- 2004

It is found that the observed problems with the nonadiabatic correction have two main sources: the currents associated with the s-->p excitations are highly nonuniform and, in particular, change direction between atomic shells, and the so-called exchange-correlation kernels of the homogeneous electron gas are incompletely known in the high-density atomic core regions.

### Analytical expressions for the local-field factor G(q) and the exchange-correlation kernel K_{xc}(r) of the homogeneous electron gas

- Physics
- 1998

We present an analytical expression for the local-field factor G(q) of the homogeneous electron gas which reproduces recently published quantum Monte Carlo data by Moroni, Ceperley, and Senatore…

### Self-interaction correction to density-functional approximations for many-electron systems

- Physics
- 1981

exchange and correlation, are not. We present two related methods for the self-interaction correction (SIC) of any density functional for the energy; correction of the self-consistent one-electron…

### Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

- Physics
- 1980

We assess various approximate forms for the correlation energy per particle of the spin-polarized homogeneous electron gas that have frequently been used in applications of the local spin density…

### Phys

- Rev. B 60, 7966
- 1999