Related papers: Towards ab initio calculations with the dynamical …
The results summarized here are intended as rigorous mathematical statements on various physical models coming from condensed matter physics, statistical mechanics (classical and quantum), quantum field theory and cold atoms physics. The…
The new relativistic equations of motion for the particles with spin s=1, s=3/2, s=2 and nonzero mass have been introduced. The description of the relativistic canonical quantum mechanics of the arbitrary mass and spin has been given. The…
In the last years, chiral effective field theory has been successfully developed for and applied to systems with few nucleons. Here, I present a new approach for ab initio calculations of nuclei that combines these precise and systematic…
In this work, we adapt the formalism of the dynamical vertex approximation (D$\Gamma$A), a diagrammatic approach including many-body correlations beyond the dynamical mean-field theory, to the case of attractive onsite interactions. We…
The dynamical mean-field concept of approximating an unsolvable many-body problem in terms of the solution of an auxiliary quantum impurity problem, introduced to study bulk materials with a continuous energy spectrum, is here extended to…
Deep learning has deeply changed the paradigms of many research fields. At the heart of chemical and physical sciences is the accurate ab initio calculation of many-body wavefunction, which has become one of the most notable examples to…
We study the general problem of mixing for ab-initio quantum-mechanical problems. Guided by general mathematical principles and the underlying physics, we propose a multisecant form of Broydens second method for solving the self-consistent…
Mean-field approaches where a complex fermionic many-body problem is replaced by an ensemble of independent particles in a self-consistent mean-field can describe many static and dynamical aspects. It generally provides a rather good…
We derive the equations for calculating the high-frequency asymptotics of the local two-particle vertex function for a multi-orbital impurity model. These relate the asymptotics for a general local interaction to equal-time two-particle…
Ab initio simulations are capable of providing detailed information of material behavior at the nanoscale. Simulating experimentally relevant situations is, however, often computationally intense. Using hybrid approaches between ab initio…
In this paper we propose an ab initio method to solve quantum many-body problems of molecular dynamics where both the electronic and the nuclear degrees are represented by ensembles of trajectories and guiding waves in physical space. Both…
The computational cost of ab initio nuclear structure calculations is rendered particularly acute by the presence of (at least) three-nucleon interactions. This feature becomes especially critical now that many-body methods aim at extending…
We review recent developments in electronic structure calculations that go beyond state-of-the-art methods such as density functional theory (DFT) and dynamical mean field theory (DMFT). Specifically, we discuss the following methods: GW as…
Neural networks have been applied to tackle many-body electron correlations for small molecules and physical models in recent years. Here we propose a new architecture that extends molecular neural networks with the inclusion of periodic…
In this work, we discuss a new method for calculation of extremal eigenvectors and eigenvalues in systems or regions of parameter space where direct calculation is problematic. This technique relies on the analytic continuation of the power…
Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…
We present accurate many-body results of the electronic densities in several solid materials, including Si, NaCl, and Cu. These results are obtained using the ab initio auxiliary-field quantum Monte Carlo (AFQMC) method working in a…
Quantum many-body theory has witnessed tremendous progress in various fields, ranging from atomic and solid-state physics to quantum chemistry and nuclear structure. Due to the inherent computational burden linked to the ab initio treatment…
Interacting spin systems are of fundamental relevance in different areas of physics, as well as in quantum information science, and biology. These spin models represent the simplest, yet not fully understood, manifestation of quantum…
We present a novel method for precise numerical solution of the irreducible two-body problem and apply it to excitons in solids. The approach is based on the Monte Carlo simulation of the two-body Green function specified by Feynman's…