Related papers: Comparative study of the density matrix embedding …
The Eigenstate Thermalization Hypothesis (ETH) explains emergence of the thermodynamic equilibrium by assuming a particular structure of observable's matrix elements in the energy eigenbasis. Schematically, it postulates that off-diagonal…
We present an accurate and efficient framework for real-space Hubbard-corrected density functional theory. In particular, we obtain expressions for the energy, atomic forces, and stress tensor suitable for real-space finite-difference…
Density matrix exponentiation (DME) is a general procedure that converts an unknown quantum state into the Hamiltonian evolution. This enables state-dependent operations and can reveal nontrivial properties of the state, among other…
The fabrication, utilisation, and efficiency of quantum technologies rely on a good understanding of quantum thermodynamic properties. Many-body systems are often used as hardware for these quantum devices, but interactions between…
An overarching question in strongly correlated electron systems is how the landscape of quantum phases emerges from electron correlations. The method of extended dynamical mean field theory (EDMFT) has been developed for clean lattice…
A recent work [arXiv:2401.04685] has merged $N$-centered ensembles of neutral and charged electronic ground states with ensembles of neutral ground and excited states, thus providing a general and in-principle exact (so-called extended…
The Hubbard model in the strong-coupling regime is mainly studied by Kondo-lattice theory or 1/d expansion theory, with d the spatial dimensionality. In two dimensions and higher, the ground state within the Hilbert subspace with no order…
The entanglement spectrum (ES) is a powerful tool for probing topological phases. While its behavior in gapped systems is well understood, its properties in gapless regimes remain unclear. In this work, we employ a quantum Monte Carlo…
We present a density functional theory (DFT) for lattice models with local electron-electron (e-e) and electron-phonon (e-ph) interactions. Exchange-correlation potentials are derived via dynamical mean field theory for the…
Heterostructures of transition-metal oxides emerged as a new route to engineer electronic systems with desired functionalities. Motivated by these developments, we study a two-orbital Hubbard model in a thin-film geometry confined along the…
We introduce a novel momentum space entanglement renormalization group (MERG) scheme for the topologically ordered (T.O.) ground state of the 2D Hubbard model on a square lattice (\cite{anirbanmotti,anirbanmott2}) using a unitary quantum…
The polarizable embedding (PE) approach is a flexible embedding model where a pre-selected region out of a larger system is described quantum mechanically while the interaction with the surrounding environment is modeled through an…
The performance of the density matrix renormalization group (DMRG) is strongly influenced by the choice of the local basis of the underlying physical lattice. We demonstrate that, for the two-dimensional Hubbard model, the hybrid…
We apply the density-matrix renormalization group (DMRG) method to a one-dimensional Hubbard model that lacks Umklapp scattering and thus provides an ideal case to study the Mott-Hubbard transition analytically and numerically. The model…
We develop the theory justifying the application of the density-based basis-set correction (DBBSC) method to double-hybrid approximations in order to accelerate their basis convergence. We show that, for the oneparameter double hybrids…
The complicated ways in which electrons interact in many-body systems such as molecules and materials have long been viewed through the lens of local electron correlation and associated correlation functions. However, quantum information…
The Hilbert-Huang transform (HHT) consists of empirical mode decomposition (EMD), which is a template-free method that represents the combination of different intrinsic modes on a time-frequency map (i.e., the Hilbert spectrum). The…
Determining the ground state of multi-orbital Hubbard models is critical for understanding strongly correlated electron materials, yet existing methods struggle to simultaneously reach zero temperature and infinite system size. The…
We compute the ground-state phase diagram of the Hubbard and frustrated Hubbard models on the square lattice with density matrix embedding theory using clusters of up to 16 sites. We provide an error model to estimate the reliability of the…
We test the eigenstate thermalization hypothesis (ETH) in 1+1-dimensional SU(2) lattice gauge theory (LGT) with one flavor of dynamical fermions. Using the loop-string-hadron framework of the LGT with a bosonic cut-off, we exactly…