We present a Green's function formulation of the quantum defect embedding theory (QDET) where a double counting scheme is rigorously derived within the $G_0 W_0$ approximation. We then show the robustness of our methodology by applying the theory with the newly derived scheme to several defects in diamond. Additionally, we discuss a strategy to obtain converged results as a function of the size and composition of the active space. Our results show that QDET is a promising approach to investigate strongly correlated states of defects in solids
International audienceWe study the surface defect in $\mathcal{N}=2^*$$U(N)$ gauge theory in four di...
The exact Green function is constructed for a quantum system, with known Green function, which is de...
: Using a recently developed quantum embedding theory, we present first-principles calculations of s...
: We present a Green's function formulation of the quantum defect embedding theory (QDET) where a do...
A quantitative description of the excited electronic states of point defects and impurities is cruci...
The relation between the quantum defects, $\mu_\lambda$, and scattering phases, $\delta_\lambda$, in...
: Quantum embedding theories are promising approaches to investigate strongly correlated electronic ...
Defects, even in low concentrations, can significantly influence the properties of materials. State-...
We derive an improved version of the recursive Green's function formalism (RGF), which is a standard...
Spectral properties of a double quantum dot (QD) structure are studied by a causal Green's function ...
A quantitative description of the excited electronic states of point defects and impurities is cruci...
Quantum computers hold promise to enable efficient simulations of the properties of molecules and ma...
International audienceWe study the surface defect in $\mathcal{N}=2^*$$U(N)$ gauge theory in four di...
International audienceWe study the surface defect in $\mathcal{N}=2^*$$U(N)$ gauge theory in four di...
We introduce the Green's functions technique as an alternative theory to the quantum regression theo...
International audienceWe study the surface defect in $\mathcal{N}=2^*$$U(N)$ gauge theory in four di...
The exact Green function is constructed for a quantum system, with known Green function, which is de...
: Using a recently developed quantum embedding theory, we present first-principles calculations of s...
: We present a Green's function formulation of the quantum defect embedding theory (QDET) where a do...
A quantitative description of the excited electronic states of point defects and impurities is cruci...
The relation between the quantum defects, $\mu_\lambda$, and scattering phases, $\delta_\lambda$, in...
: Quantum embedding theories are promising approaches to investigate strongly correlated electronic ...
Defects, even in low concentrations, can significantly influence the properties of materials. State-...
We derive an improved version of the recursive Green's function formalism (RGF), which is a standard...
Spectral properties of a double quantum dot (QD) structure are studied by a causal Green's function ...
A quantitative description of the excited electronic states of point defects and impurities is cruci...
Quantum computers hold promise to enable efficient simulations of the properties of molecules and ma...
International audienceWe study the surface defect in $\mathcal{N}=2^*$$U(N)$ gauge theory in four di...
International audienceWe study the surface defect in $\mathcal{N}=2^*$$U(N)$ gauge theory in four di...
We introduce the Green's functions technique as an alternative theory to the quantum regression theo...
International audienceWe study the surface defect in $\mathcal{N}=2^*$$U(N)$ gauge theory in four di...
The exact Green function is constructed for a quantum system, with known Green function, which is de...
: Using a recently developed quantum embedding theory, we present first-principles calculations of s...