Thermal energy transport in oxide nuclear fuel
To efficiently capture the energy of the nuclear bond, advanced nuclear reactor concepts
seek solid fuels that must withstand unprecedented temperature and radiation extremes. In …
seek solid fuels that must withstand unprecedented temperature and radiation extremes. In …
Multiorbital Processes Rule the Normal State
F Lechermann - Physical Review X, 2020 - APS
The predominant Ni-multiorbital nature of infinite-layer neodynium nickelate at stoichiometry
and with doping is revealed. We investigate the correlated electronic structure of NdNiO 2 at …
and with doping is revealed. We investigate the correlated electronic structure of NdNiO 2 at …
Correlated materials design: prospects and challenges
The design of correlated materials challenges researchers to combine the maturing, high
throughput framework of DFT-based materials design with the rapidly-developing first …
throughput framework of DFT-based materials design with the rapidly-developing first …
Adaptive variational quantum imaginary time evolution approach for ground state preparation
An adaptive variational quantum imaginary time evolution (AVQITE) approach is introduced
that yields efficient representations of ground states for interacting Hamiltonians on near …
that yields efficient representations of ground states for interacting Hamiltonians on near …
Is the orbital-selective Mott phase stable against interorbital hopping?
The localization-delocalization transition is at the heart of strong correlation physics.
Recently, there is great interest in multiorbital systems where this transition can be restricted …
Recently, there is great interest in multiorbital systems where this transition can be restricted …
Accuracy of ghost rotationally invariant slave-boson and dynamical mean field theory as a function of the impurity-model bath size
We compare the accuracy of the ghost rotationally invariant slave-boson (g-RISB) theory
and dynamical mean field theory (DMFT) on the single-band Hubbard model, as a function …
and dynamical mean field theory (DMFT) on the single-band Hubbard model, as a function …
Accuracy of ghost-rotationally-invariant slave-boson theory for multiorbital Hubbard models and realistic materials
We assess the accuracy of ghost-rotationally-invariant slave-boson (g-RISB) theory in
multiorbital systems by applying it to both the three-orbital degenerate Hubbard model and a …
multiorbital systems by applying it to both the three-orbital degenerate Hubbard model and a …
Derivation of the ghost Gutzwiller approximation from quantum embedding principles: Ghost density matrix embedding theory
N Lanatà - Physical Review B, 2023 - APS
Establishing the underlying links between the diverse landscape of theoretical frameworks
for simulating strongly correlated matter is crucial for advancing our understanding of these …
for simulating strongly correlated matter is crucial for advancing our understanding of these …
Shallow-circuit variational quantum eigensolver based on symmetry-inspired Hilbert space partitioning for quantum chemical calculations
Development of resource-friendly quantum algorithms remains highly desirable for noisy
intermediate-scale quantum computing. Based on the variational quantum eigensolver …
intermediate-scale quantum computing. Based on the variational quantum eigensolver …
Gutzwiller hybrid quantum-classical computing approach for correlated materials
Rapid progress in noisy intermediate-scale quantum (NISQ) computing technology has led
to the development of novel resource-efficient hybrid quantum-classical algorithms, such as …
to the development of novel resource-efficient hybrid quantum-classical algorithms, such as …