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We derive many-body single- and multi-reference wave functions for quantum Monte Carlo of periodic systems with an anti-symmetric portion that explicitly integrates over the Brillouin zone of one-particle Bloch states. The wave functions…

Strongly Correlated Electrons · Physics 2023-09-28 Lubos Mitas

Wavefront shaping can tailor multipath interference to control multiple scattering of waves in complex optical systems. However, full-wave simulations that capture multiple scattering are computationally demanding given the large system…

Optics · Physics 2024-06-14 Ho-Chun Lin , Zeyu Wang , Chia Wei Hsu

We propose a general framework for finding the ground state of many-body fermionic systems by using feed-forward neural networks. The anticommutation relation for fermions is usually implemented to a variational wave function by the Slater…

Strongly Correlated Electrons · Physics 2021-12-21 Koji Inui , Yasuyuki Kato , Yukitoshi Motome

An efficient and expressive wavefunction ansatz is key to scalable solutions for complex many-body electronic structures. While Slater determinants are predominantly used for constructing antisymmetric electronic wavefunction ans\"{a}tze,…

Machine Learning · Computer Science 2024-11-12 Luca Thiede , Chong Sun , Alán Aspuru-Guzik

The quantum many-body problem is an important topic in condensed matter physics. To efficiently solve the problem, several methods have been developped to improve the representation ability of wave-functions. For the Fermi-Hubbard model…

Strongly Correlated Electrons · Physics 2024-06-05 Yu-Tong Zhou , Zheng-Wei Zhou , Xiao Liang

By using the diffusion Monte Carlo method we calculate the one- and two-body density matrix of an interacting Fermi gas at T=0 in the BCS-BEC crossover. Results for the momentum distribution of the atoms, as obtained from the Fourier…

Other Condensed Matter · Physics 2009-11-11 G. E. Astrakharchik , J. Boronat , J. Casulleras , S. Giorgini

We examine the effective interaction of nonrelativistic fermions with an external vector field in superfluid systems. In contrast to the complicated vertex equation, usually used in this case, we apply the approach which does not employ an…

Astrophysics · Physics 2008-11-26 L. B. Leinson

In many applications involving spatial point patterns, we find evidence of inhibition or repulsion. The most commonly used class of models for such settings are the Gibbs point processes. A recent alternative, at least to the statistical…

Computation · Statistics 2016-08-29 Shinichiro Shirota , Alan. E. Gelfand

Multi-cell coordinated beamforming (MCBF), where multiple base stations (BSs) collaborate with each other in the beamforming design for mitigating the inter-cell interference, has been a subject drawing great attention recently. Most MCBF…

Information Theory · Computer Science 2015-10-28 Chao Shen , Tsung-Hui Chang , Kun-Yu Wang , Zhengding Qiu , Chong-Yung Chi

The antisymmetrized geminal power (AGP) wave function has a long history and considerable conceptual appeal, but in many situations its accuracy is wanting. Here, we consider a form of configuration interaction (CI) based upon the AGP wave…

Chemical Physics · Physics 2020-05-14 Thomas M. Henderson , Gustavo E. Scuseria

Matchgates and Clifford circuits are two types of quantum circuits which can be efficiently simulated classically, though the underlying reasons are quite different. Matchgates are essentially the single particle basis transformations in…

Quantum Physics · Physics 2025-12-23 Jiale Huang , Xiangjian Qian , Zhendong Li , Mingpu Qin

We present a simple and efficient method to optimize within energy minimization the determinantal component of the many-body wave functions commonly used in quantum Monte Carlo calculations. The approach obtains the optimal wave function as…

Other Condensed Matter · Physics 2009-11-11 Anthony Scemama , Claudia Filippi

The accuracy and efficiency of ab-initio quantum Monte Carlo (QMC) algorithms benefits greatly from compact variational trial wave functions that accurately reproduce ground state properties of a system. We investigate the possibility of…

Materials Science · Physics 2019-01-30 Shivesh Pathak , Lucas K. Wagner

We introduce a new fermionic variational wavefunction, generalizing the Bardeen-Cooper-Schrieffer (BCS) wavefunction, which is suitable for interacting multi-species spinful systems and sustaining superfluidity. Applications range from…

Superconductivity · Physics 2014-07-02 George Kastrinakis

We present an explicit Bethe-ansatz wavefunction to a 1D spin-$\frac{1}{2}$ interacting fermion system, manifesting a many-body resonance resulting from the interplay between interaction and non-Hermitian spin-orbit coupling. In the dilute…

Strongly Correlated Electrons · Physics 2026-01-22 Yue Wang , Xiangyu Zhang , Zhesen Yang , Congjun Wu

The reduced density matrix of an interacting system can be used as the basis for a truncation scheme, or in an unbiased method to discover the strongest kind of correlation in the ground state. In this paper, we investigate the structure of…

Strongly Correlated Electrons · Physics 2009-11-11 Siew-Ann Cheong , Christopher L. Henley

The one-body reduced density matrix $\gamma$ plays a fundamental role in describing and predicting quantum features of bosonic systems, such as Bose-Einstein condensation. The recently proposed reduced density matrix functional theory for…

Quantum Physics · Physics 2022-01-19 Jonathan Schmidt , Matteo Fadel , Carlos L. Benavides-Riveros

We describe the implementation of the frozen-orbital and downfolding approximations in the auxiliary-field quantum Monte Carlo (AFQMC) method. These approaches can provide significant computational savings compared to fully correlating all…

Computational Physics · Physics 2013-11-18 Wirawan Purwanto , Shiwei Zhang , Henry Krakauer

The single-particle density is the most basic quantity that can be calculated from a given many-body wave function. It provides the probability to find a particle at a given position when the average over many realizations of an experiment…

Quantum Gases · Physics 2016-02-29 Kaspar Sakmann , Mark Kasevich

For optimal accuracy, auxiliary-field quantum Monte Carlo (AFQMC) requires trial states consisting of multiple Slater determinants. We develop an efficient algorithm to select the determinants from an AFQMC random walk eliminating the need…

Chemical Physics · Physics 2025-07-08 Zoran Sukurma , Martin Schlipf , Georg Kresse