Related papers: Quantum periodic cluster methods for strongly corr…
Strongly correlated electron systems require the development of new theoretical schemes in order to describe their unusual and unexpected properties. The usual perturbation schemes are inadequate and new concepts must be introduced. In our…
The coupling of a quantum system to an environment leads generally to decoherence, and it is detrimental to quantum correlations within the system itself. Yet some forms of quantum correlations can be robust to the presence of an…
We develop, clarify and test various aspects of cluster methods dynamical mean field methods using a soluble toy model as a benchmark. We find that the Cellular Dynamical Mean Field Theory (C-DMFT) converges very rapidly and compare its…
We introduce a mean-field and perturbative approach, based on clusters, to describe the ground state of fermionic strongly-correlated systems. In cluster mean-field, the ground state wavefunction is written as a simple tensor product over…
The curse of dimensionality (COD) limits the current state-of-the-art {\it ab initio} propagation methods for non-relativistic quantum mechanics to relatively few particles. For stationary structure calculations, the coupled-cluster (CC)…
We describe a framework for encoding cluster combinatorics using categorical methods. We give a definition of an abstract cluster structure, which captures the essence of cluster mutation at a tropical level and show that cluster algebras,…
We compute second-order quantum corrections, as quantum dispersions and correlations, to a cosmological model coupling a single scalar perturbation mode to a bouncing background within Loop Quantum Cosmology (LQC). Using an effective…
We propose a new concept upon the renormalization group (RG) procedure for an interacting many-electron correlated system in the framework of natural orbitals, and formulate an algorithm for this RG approach. To demonstrate its…
Correlation clustering is a widely studied framework for clustering based on pairwise similarity and dissimilarity scores, but its best approximation algorithms rely on impractical linear programming relaxations. We present faster…
The paper describes a solution to the problem of quantum measurement that has been proposed recently. The literal understanding of the basic rule of quantum mechanics on identical particles violates the cluster separation principle and so…
Quantum Monte Carlo (QMC) is an advanced simulation methodology for studies of manybody quantum systems. In this review, we focus on the electronic structure QMC, i.e., methods relevant for systems described by the electron-ion…
Quantum embedding methods have recently developed significantly to model large molecular structures. This work proposes a novel wave function theory in density functional theory (WTF-in-DFT) embedding scheme based on pair-coupled cluster…
Extracting the Hamiltonian of interacting quantum-information processing systems is a keystone problem in the realization of complex phenomena and large-scale quantum computers. The remarkable growth of the field increasingly requires…
While limited coupled cluster theory is \textit{formally} nonvariational, it is not broadly appreciated whether this is a major issue \textit{in practice}. We carried out a detailed comparison with \textit{de facto} full CI energies for a…
We illustrate how classical chaotic dynamics influences the quantum properties at mesoscopic scales. As a model case we study semiclassically coherent transport through ballistic mesoscopic systems within the Landauer formalism beyond the…
The community structure of complex networks reveals both their organization and hidden relationships among their constituents. Most community detection methods currently available are not deterministic, and their results typically depend on…
The effective fractional charges like 17/4 or 19/4 are explained by our angular momentum theory. These fractions do not arise from the odd denominator rule. Due to spin polarization for both of these along the magnetic field, these states…
A comprehensive theoretical understanding of electron-photon correlation is essential for describing the reshaping of molecular orbitals in quantum electrodynamics (QED) environments. The strong coupling QED Hartree-Fock (SC-QED-HF) theory…
An analytic theory is developed for the density of states oscillations in quantum wells in a magnetic field which is tilted with respect to the barrier planes. The main oscillations are found to come from the simplest one or two-bounce…
Many computational methods in ab initio quantum chemistry are formulated in terms of high-order tensor contractions, whose cost determines the size of system that can be studied. We introduce stochastic tensor contraction to perform such…