相关论文: Flexible ansatz for N-body Configuration Interacti…
In a previous paper we proposed a Projected Configuration Interaction method that uses sets of axially deformed single particle states to build up the many body basis. We show that the choice of the basis set is essential for the efficiency…
We uncover a generic mechanism through which the intrinsic geometry of multifractal quantum wavefunctions generates effective all-to-all interactions in many-body systems. By analyzing the multifractal spectrum, we demonstrate that the…
We propose a very accurate and efficient variational scheme for the ground state of the system of $p$-wave attractively interacting fermions confined in a one-dimensional harmonic trap. By the construction, the method takes the…
We present a self-contained study of the dynamics of oscillating nanomenisci anchored on nanometric topographical defects around a cylindrical nanofiber -- radius below 100 nm. Using frequency-modulation atomic force microscopy (FM-AFM), we…
We investigate configuration-interaction (CI) calculations on a basis of molecular orbitals generated by preliminary density-functional theory (DFT) calculations. We use this CI/DFT framework to improve the modeling of core-excited states…
Deep neural networks have become a highly accurate and powerful wavefunction ansatz in combination with variational Monte Carlo methods for solving the electronic Schr\"odinger equation. However, despite their success and favorable scaling,…
The radiation pattern of transmit antennas varies and fluctuates as receivers change their location, other objects move around, and due to the antenna design itself. In this paper, we demonstrate how this observation can be exploited to…
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 contribution, we extend our framework for analyzing and visualizing correlated many-electron dynamics to non-variational, highly scalable electronic structure method. Specifically, an explicitly time-dependent electronic wave packet…
Dynamics of coarse-grained particle systems derived via the Mori-Zwanzig projection formalism commonly take the form of a (generalized) Langevin equation with configuration-dependent friction and diffusion tensors. In this article, we…
Interface constitutes a significant volume fraction in nanocomposites, and it requires the ability to tune and tailor interfaces to tap the full potential of nanocomposites. However, the development and optimization of nanocomposites is…
In the present letter, it is demonstrated how full configuration interaction (FCI) results in extended basis sets may be obtained to within sub-kJ/mol accuracy by decomposing the energy in terms of many-body expansions in the virtual…
Incremental full configuration interaction (iFCI) is polynomial-cost approach to the FCI limit of electronic structure. This article introduces the many-body basis set amelioration (MBBSA) method, which is designed to allow iFCI to be…
An iterative configuration interaction (iCI)-based multiconfigurational self-consistent field (SCF) theory, iCISCF, is proposed to handle systems that require large complete active spaces (CAS). The success of iCISCF stems from three…
In this paper we present the theoretical considerations and the design evolution of a proof-of-concept reconfigurable metasurface, primarily used as a tunable microwave absorber, but also as a wavefront manipulation and polarization…
Wavefront shaping (WFS) has emerged as powerful tool to control the propagation of diverse wave phenomena (light, sound, microwaves, ...) in disordered matter for applications including imaging, communication, energy transfer,…
Variational wave function ansatze are an invaluable tool to study the properties of strongly correlated systems. We propose such a wave function, based on the theory of auxiliary fields and combining aspects of auxiliary-field quantum Monte…
Fluid antenna systems encompass a broad class of reconfigurable antenna technologies that offer substantial spatial diversity for various optimization objectives and communication tasks. Their capability to enhance spatial resolution within…
This paper presents a novel framework for modeling the uplink intercell interference (ICI) in a multiuser cellular network. The proposed framework assists in quantifying the impact of various fading channel models and state-of-the-art…
We propose a framework for the design and analysis of optimization algorithms in variational quantum Monte Carlo, drawing on geometric insights into the corresponding function space. The framework translates infinite-dimensional…