Add to ORKGThe modelling of dense plasmas using finite-temperature density functional theory has proven very successful in determining transport properties and the equation of state of systems where quantum many-body effects and correlations play a key role in their structure. Here we show how excited-state projector augmented-wave potentials can be used to extend these calculations to explicitly model core-hole states, allowing for the calculation of the electronic structure of a range of integer charge configurations embedded in a dense plasma environment. Our excited-state potentials show good agreement with all-electron calculations at finite-temperatures, motivating their use as an efficient approach in modelling from first principles both the st...
The exchange-correlation potential associated with excited-state density functional theory is studie...
The quantal density-functional theory (Q-DFT) of nondegenerate excited-states maps the pure state of...
Nuclei interacting with electrons in dense plasmas acquire electronic bound states, modify continuum...
An accurate description of the ionization potential depression of ions in plasmas due to their inter...
In warm dense matter (WDM) and dense plasma physics, Density Functional Theory (DFT) has become a st...
Accurate modeling of warm and hot dense matter is challenging in part due to the multitude of excite...
Ab initio molecular dynamics calculations are adapted to treat dense plasmas for temperatures exceed...
The first-principles calculations of potential-energy surfaces were performed for excited states in ...
The quantal density functional theory (Q‐DFT) of excited states is the description of the physics of...
We explain by quantal density functional theory the physics of mapping from any bound nondegenerate ...
The relaxation of temperature, coupling parameters, the excess part of equation of state, and the co...
We calculate the static structure factor of dense multi-component plasmas. Large scale ab initio fin...
High energy density (HED) matter exists extensively in the Universe, and it can be created with extr...
Multiple-charge and atomic particles in dense plasma for cases of high temperatures and complete deg...
Electronic bound states in dense plasmas are modified, due to screening of ionic potentials by nearb...
The exchange-correlation potential associated with excited-state density functional theory is studie...
The quantal density-functional theory (Q-DFT) of nondegenerate excited-states maps the pure state of...
Nuclei interacting with electrons in dense plasmas acquire electronic bound states, modify continuum...
An accurate description of the ionization potential depression of ions in plasmas due to their inter...
In warm dense matter (WDM) and dense plasma physics, Density Functional Theory (DFT) has become a st...
Accurate modeling of warm and hot dense matter is challenging in part due to the multitude of excite...
Ab initio molecular dynamics calculations are adapted to treat dense plasmas for temperatures exceed...
The first-principles calculations of potential-energy surfaces were performed for excited states in ...
The quantal density functional theory (Q‐DFT) of excited states is the description of the physics of...
We explain by quantal density functional theory the physics of mapping from any bound nondegenerate ...
The relaxation of temperature, coupling parameters, the excess part of equation of state, and the co...
We calculate the static structure factor of dense multi-component plasmas. Large scale ab initio fin...
High energy density (HED) matter exists extensively in the Universe, and it can be created with extr...
Multiple-charge and atomic particles in dense plasma for cases of high temperatures and complete deg...
Electronic bound states in dense plasmas are modified, due to screening of ionic potentials by nearb...
The exchange-correlation potential associated with excited-state density functional theory is studie...
The quantal density-functional theory (Q-DFT) of nondegenerate excited-states maps the pure state of...
Nuclei interacting with electrons in dense plasmas acquire electronic bound states, modify continuum...