Stochastic cluster expansion is extended to excited states by reconstructing energy differences from reduced-rank calculations on a minimal frontier chemical subspace treated exactly plus stochastic sampling of the orbital environment.
From Real Materials to Model Hamiltonians With Density Matrix Downfolding
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Quantum fluctuations can raise the melting temperature of generalized Wigner crystals by competing with thermal fluctuations in certain parameter regimes.
Derives an exact downfolded effective model by integrating out the rest space, states conditions for perturbative truncation, and formally recovers cRPA with corrections.
SAFR provides an efficient SVD-based method with Fourier regularization for atmospheric tomography in MCAO systems, demonstrated in simulations for the ELT's MORFEO instrument.
Quantum effects govern behavior in warm dense matter and inertial fusion plasmas and are best modeled by combining quantum methods through downfolding from first-principles simulations.
citing papers explorer
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Stochastic Cluster Expansion for Excited State Energies
Stochastic cluster expansion is extended to excited states by reconstructing energy differences from reduced-rank calculations on a minimal frontier chemical subspace treated exactly plus stochastic sampling of the orbital environment.
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Melting temperature shifts from quantum fluctuations in generalized Wigner crystals
Quantum fluctuations can raise the melting temperature of generalized Wigner crystals by competing with thermal fluctuations in certain parameter regimes.
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Exact downfolding and its perturbative approximation
Derives an exact downfolded effective model by integrating out the rest space, states conditions for perturbative truncation, and formally recovers cRPA with corrections.
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Singular Value-based Atmospheric Tomography with Fourier Domain Regularization (SAFR)
SAFR provides an efficient SVD-based method with Fourier regularization for atmospheric tomography in MCAO systems, demonstrated in simulations for the ELT's MORFEO instrument.
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Quantum effects in plasmas
Quantum effects govern behavior in warm dense matter and inertial fusion plasmas and are best modeled by combining quantum methods through downfolding from first-principles simulations.