# Current Issues in Finite-T Density-Functional Theory and Warm-Correlated Matter

@article{Dharmawardana2016CurrentII, title={Current Issues in Finite-T Density-Functional Theory and Warm-Correlated Matter}, author={M. W. Chandre Dharma-wardana}, journal={Comput.}, year={2016}, volume={4}, pages={16} }

Finite-temperature DFT has become of topical interest, partly due to the increasing ability to create novel states of warm-correlated matter (WCM). Subclasses of WCM are Warm-dense matter (WDM), ultra-fast matter (UFM), and high-energy density matter (HEDM), containing electyrons (e) and ions (i). Strong e-e, i-i and e-i correlation effects and partial degeneracies are found in these systems where the electron temperature $T_e $ is comparable to the electron Fermi energy. The ion subsystem may…

## 34 Citations

### Yukawa-Friedel-tail pair potentials for warm dense matter applications.

- Environmental SciencePhysical review. E
- 2022

Accurate equations of state (EOS) and plasma transport properties are essential for numerical simulations of warm dense matter encountered in many high-energy-density situations. Molecular dynamics…

### Hot-electron relaxation in dense `two-temperature' hydrogen

- Physics
- 2017

Recent theories of hot-electron relaxation in dense hydrogen or deuterium are examined in the light of recent molecular-dynamics simulations as well as various theoretical developments within the…

### Correlational and thermodynamic properties of finite-temperature electron liquids in the hypernetted-chain approximation.

- PhysicsThe Journal of chemical physics
- 2016

The HNC exchange-correlation free energies obtained through the coupling-constant integration show reasonable agreements with earlier results including the PIMC-based fitting over the whole fluid region at finite degeneracies in the paramagnetic state, but a systematic difference is observed in the ferromagnetic state.

### Ion-ion dynamic structure factor, acoustic modes, and equation of state of two-temperature warm dense aluminum.

- PhysicsPhysical review. E
- 2018

Analyzing the van Hove function, it is found that ion-ion correlations vanish in a time significantly smaller than the electron-ion relaxation time so that dynamical properties have a physical meaning for the quasiequilibrium state.

### Modeling warm dense matter formation within tight binding approximation

- PhysicsOptics + Optoelectronics
- 2019

This contribution discusses challenges in modeling of formation of the warm dense matter (WDM) state in solids exposed to femtosecond X-ray free-electron laser pulses. It is based upon our previously…

### Analytical representation of the local field correction of the uniform electron gas within the effective static approximation

- PhysicsPhysical Review B
- 2021

The description of electronic exchange-correlation effects is of paramount importance for many applications in physics, chemistry, and beyond. In a recent paper, Dornheim et al. [Phys. Rev. Lett.…

### Ab Initio Quantum Monte Carlo Simulation of the Warm Dense Electron Gas in the Thermodynamic Limit.

- Physics, ChemistryPhysical review letters
- 2016

Extensive new QMC results for up to N=1000 electrons enable us to compute the potential energy V and the exchange-correlation free energy F_{xc} of the macroscopic electron gas with an unprecedented accuracy.

### Ab initio quantum Monte Carlo simulation of the warm dense electron gas

- Physics
- 2017

Warm dense matter is one of the most active frontiers in plasma physics due to its relevance for dense astrophysical objects and for novel laboratory experiments in which matter is being strongly…

### Free energy of the uniform electron gas: Testing analytical models against first‐principles results

- Physics
- 2017

The uniform electron gas is a key model system in the description of matter, including dense plasmas and solid‐state systems. However, the simultaneous occurrence of quantum, correlation, and thermal…

### Improved equation of state for finite‐temperature spin‐polarized electron liquids on the basis of Singwi–Tosi–Land–Sjölander approximation

- Physics
- 2017

An accurate expression for the exchange‐correlation free energy fxc of homogeneous electron fluids at finite temperatures is presented on the basis of Singwi–Tosi–Land–Sjölander (STLS) approximation.…

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