Related papers: Many-Body Expanded Full Configuration Interaction.…
We present a general method for the high-temperature expansion of the self-energy of interacting particles. Though the method is valid for fermions and bosons, we illustrate it for spin one half fermions interacting via a zero range…
The crossover from a BEC (Bose-Einstein condensation) to a BCS (Bardeen-Cooper-Schrieffer) superfluid in dilute gases of ultracold Fermi atoms creates an ideal environment to enrich our knowledge of strongly correlated many-body systems.…
Electronic resonances are metastable states that can decay by electron loss. They are ubiquitous across various fields of science, such as chemistry, physics, and biology. However, current theoretical and computational models for resonances…
In this article, we present a new unified finite element method (UFEM) for simulation of general Fluid-Structure interaction (FSI) which has the same generality and robustness as monolithic methods but is significantly more computationally…
The present level of development of molecular force field methods is assessed from the point of view of simulation-based engineering, outlining the immediate perspective for further development and highlighting the newly emerging discipline…
We formulate a general, arbitrary-order stochastic response formalism within the Full Configuration Interaction Quantum Monte Carlo framework. This modified stochastic dynamic allows for the exact response properties of correlated…
Improving the understanding of strongly correlated quantum many body systems such as gases of interacting atoms or electrons is one of the most important challenges in modern condensed matter physics, materials research and chemistry.…
The dynamic response functions of strongly interacting fermion gas in homogeneous space are investigated in a virial expansion to second order. The density response function exhibits transition from atomic to molecular response, as the…
Particle breakage due to collisional interactions plays a vital role in the development of several phenomena in science and engineering. The nonlinear collisional breakage equations (NCBEs) are a significant set of equations in this…
We present a theoretical study of the dynamic structure function of a resonantly interacting two-component Fermi gas at zero temperature. Our approach is based on dynamic many-body theory able to describe excitations in strongly correlated…
Building on the success of Quantum Monte Carlo techniques such as diffusion Monte Carlo, alternative stochastic approaches to solve electronic structure problems have emerged over the last decade. The full configuration interaction quantum…
Building on a beyond-GW many-body framework that incorporates higher-order vertex effects in the self-energy -- giving rise to T-matrix and second-order exchange contributions -- this approach is extended to now include the vertex derived…
We apply the general principles of effective field theories to the construction of effective interactions suitable for few- and many-body calculations in a no-core shell model framework. We calculate the spectrum of systems with three and…
Recently, the topics of many-body localization (MBL) and one-dimensional strongly interacting few-body systems have received a lot of interest. These two topics have been largely developed separately. However, the generality of the latter…
Lattice field theory methods, usually associated with non-perturbative studies of quantum chromodynamics, are becoming increasingly common in the calculation of ground-state and thermal properties of strongly interacting non-relativistic…
The topological phases of non-interacting fermions have been classified by their symmetries, culminating in a modern electronic band theory where wavefunction topology can be obtained (in part) from momentum space. Recently, Real Space…
A balanced description of ground and excited states is essential for the description of many chemical processes. However, few methods can handle cases where static correlation is present, and often these scale very unfavourably with system…
We present efficient algorithms for using selected configuration interaction (sCI) trial wave functions in phaseless auxiliary field quantum Monte Carlo (ph-AFQMC). These advancements, geared towards optimizing computational performance for…
In a recent paper, we proposed the adaptive shift method for correcting the undersampling bias of the initiator-FCIQMC. The method allows faster convergence with the number of walkers to the FCI limit than the normal initiator method,…
We suggest an efficient method to resolve electronic cusps in electronic structure calculations by using an effective transcorrelated Hamiltonian. This effective Hamiltonian takes a simple form for plane wave bases, containing up to…