Related papers: Many-Body Expanded Full Configuration Interaction.…
We present a new approach to calculate excited states with the full configuration interaction quantum Monte Carlo (FCIQMC) method. The approach uses a Gram-Schmidt procedure, instantaneously applied to the stochastically evolving…
We develop a systematic theory of multi-particle excitations in strongly interacting Fermi systems. Our work is the generalization of the time-honored work by Jackson, Feenberg, and Campbell for bosons, that provides, in its most advanced…
The strongly interacting Bose gas is one of the most fundamental paradigms of quantum many-body physics and the subject of many experimental and theoretical investigations. We review recent progress on strongly correlated Bose gases,…
We propose using the wave function generated by the quantum selected configuration interaction (QSCI) method as the trial wave function in phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC). In the QSCI framework, electronic…
We develop a theoretical method within the framework of relativistic many-body theory to accurately treat correlation corrections in atoms with few valence electrons. This method combines the all-order approach currently used in precision…
Bosonization provides a powerful analytical framework to deal with one-dimensional strongly interacting fermion systems, which makes it a cornerstone in quantum many-body theory. Yet, this success comes at the expense of using effective…
We propose a simple scheme to construct composition-dependent interatomic potentials for multicomponent systems that when superposed onto the potentials for the pure elements can reproduce not only the heat of mixing of the solid solution…
In this paper, we present a study on how to develop an efficient multiscale simulation strategy for the dynamics of chemically active systems on low-dimensional supports. Such reactions are encountered in a wide variety of situations,…
Open many-body quantum systems have attracted renewed interest in the context of quantum information science and quantum transport with biological clusters and ultracold atomic gases. The physical relevance in many-particle bosonic systems…
By combining extrapolated selected configuration interaction (sCI) energies obtained with the CIPSI (Configuration Interaction using a Perturbative Selection made Iteratively) algorithm with the recently proposed short-range…
We present a semiclassical treatment of one-dimensional many-body quantum systems in equilibrium, where quantum corrections to the classical field approximation are systematically included by a renormalization of the classical field…
We are presenting here the new formulae for Bose-Einstein correlations (BEC) which contain effects of final state interactions (FSI) of both strong (in $s$-wave) and electromagnetic origin. We demonstrate the importance of FSI in BEC by…
We investigate strongly correlated many-body systems composed of bosons and fermions with a fully quantum treatment using the path-integral ground state method, PIGS. To account for the Fermi-Dirac statistics, we implement the fixed-node…
We present a method for calculating the dynamics of a bosonic mixture, the multi-component correlated basis function (CBF) method. For single components, CBF results for the excitation energies agree quite well with experimental results,…
A self-consistent many-body approach is proposed to build a first-principles crystal field theory, where crystal field parameters are calculated ab initio. Many-body theory is used to write the energy of the interacting system as a function…
Stimulated by the successful descriptions of strongly correlated electron systems by fractionalized fermions, correspondence between interacting fermions and non-interacting multi-component fermions is formulated in examples of the Hubbard…
In computational chemistry of molecular materials, strong static correlation effects appear when electronic states, often involving the ground state, become quasi-degenerate, as occurs, for example, in bond-breaking processes. Such…
Due to their diverse nature, the faithful description of excited states within electronic structure theory methods remains one of the grand challenges of modern theoretical chemistry. Quantum Monte Carlo (QMC) methods have been applied very…
The method of functional renormalization is applied to the theoretical investigation of ultracold quantum gases. Flow equations are derived for a Bose gas with approximately pointlike interaction, for a Fermi gas with two (hyperfine) spin…
This work addresses research questions arising from the application of geometrically exact beam theory in the context of fluid-structure interaction (FSI). Geometrically exact beam theory has proven to be a computationally efficient way to…