Related papers: Incremental Treatments of the Full Configuration I…
A new approach is proposed to assess the reliability of the truncated wavefunction methods by estimating the deviation from the full configuration interaction (FCI) wavefunction. While typical multireference diagnostics compare some derived…
We introduce a goal-oriented strategy for multiscale computations performed using the Multiscale Finite Element Method (MsFEM). In a previous work, we have shown how to use, in the MsFEM framework, the concept of Constitutive Relation Error…
This thesis aims to explore the structure of CFTs with global internal symmetries and beyond via the Large-Charge Expansion (LCE), a semi-classical expansion applicable for states with large global quantum numbers. In the first part of this…
A new method to calculate spectroscopic properties of deformed nuclei is proposed: configuration interaction on top of projected density functional theory (CI-PDFT). The general concept of this approach is discussed in the framework of…
The computational modeling of many engineering problems using the Finite Element method involves the modeling of two or more bodies that meet through an interface. The interface can be physical, as in multi-physics and contact problems, or…
We apply relativistic configuration-interaction method coupled with many-body perturbation theory (CI+MBPT) to describe low-energy dielectronic recombination. We combine the CI+MBPT approach with the complex rotation method (CRM) and…
There are numerous possibilities and motivations for an adaptive BCI, which may not be easy to clarify and organize for a newcomer to the field. To our knowledge, there has not been any work done in classifying the literature on adaptive…
We consider a certain fluid-structure interaction (FSI) system with a view of obtaining an alternative methodology for establishing its strongly continuous semigroup wellposedness. (Semigroup generation for this FSI was originally…
This article reviews recent developments in multiresolution analysis which make it a powerful tool for the systematic treatment of the multiple length-scales inherent in the electronic structure of matter. Although the article focuses on…
Using the homogeneous electron gas (HEG) as a model, we investigate the sources of error in the `initiator' adaptation to Full Configuration Interaction Quantum Monte Carlo (i-FCIQMC), with a view to accelerating convergence. In particular…
Coupled cluster (CC) methods are among the most accurate methods in quantum chemistry. However, the standard CC linear response formulation is not gauge invariant resulting in errors when modelling properties like optical rotation and…
This paper investigates uplink multiple access for the coexistence of enhanced mobile broadband+ (eMBB+) and massive machine-type communications+ (mMTC+) in terminal-centric cell-free massive MIMO (CF-mMIMO) systems. We propose a…
Inspired by our earlier semi-stochastic work aimed at converging high-level coupled-cluster (CC) energetics [J. E. Deustua, J. Shen, and P. Piecuch, Phys. Rev. Lett. 119, 223003 (2017); J. Chem. Phys. 154, 124103 (2021)], we propose a novel…
The study of quantum chromodynamics (QCD) over the past quarter century has had relatively little impact on the traditional approach to the low-energy nuclear many-body problem. Recent developments are changing this situation. New…
This paper proposes a joint active and passive beamforming design for reconfigurable intelligent surface (RIS)-aided wireless communication systems, adopting a piece-wise near-field channel model. While a traditional near-field channel…
We investigate the 1/N expansion proposed recently as a strategy to include quantum fluctuation effects in the nonrelativistic, attractive Fermi gas at and near unitarity. We extend the previous results by calculating the next-to-leading…
We expand upon the recent semi-stochastic adaptation to full configuration interaction quantum Monte Carlo (FCIQMC). We present an alternate method for generating the deterministic space without a priori knowledge of the wave function and…
This work develops and illustrates a new method of calculating "chemically accurate" electronic wavefunctions (and energies) via a truncated full configuration interaction (CI) procedure which arguably circumvents the large matrix…
High current storage rings, such as the Z-pole operating mode of the FCC-ee, require accelerating cavities that are optimized with respect to both the fundamental mode and the higher order modes. Furthermore, the cavity shape needs to be…
Recent breakthroughs in the creation of ultra-cold atomic gases in the laboratory have ushered in major changes in physical science. Many novel experiments are now possible, with an unprecedented control of interaction, geometry and purity.…