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Approximate full configuration interaction (FCI) calculations have recently become tractable for systems of unforeseen size thanks to stochastic and adaptive approximations to the exponentially scaling FCI problem. The result of an FCI…

Strongly Correlated Electrons · Physics 2017-10-25 Susi Lehtola , Norm M. Tubman , K. Birgitta Whaley , Martin Head-Gordon

The recent quantum information boom has effected a resurgence of interest in unitary coupled cluster (UCC) theory. Our group's interest in local energy landscapes of unitary ans\"atze prompted us to investigate the classical approach of…

Chemical Physics · Physics 2022-11-01 Harper R. Grimsley , Nicholas J. Mayhall

We present a new method for state preparation using the Unitary Vibrational Coupled-Cluster (UVCC) technique. Our approach utilizes redundancies in the Hilbert space in the direct mapping of vibrational modes into qubits. By eliminating…

Quantum Physics · Physics 2024-12-06 Michal Szczepanik , Emil Zak

The factorized form of the unitary coupled cluster ansatz is a popular state preparation ansatz for electronic structure calculations of molecules on quantum computers. It often is viewed as an approximation (based on the Trotter product…

Chemical Physics · Physics 2022-02-16 Jia Chen , Hai-Ping Cheng , J. K. Freericks

Unitary Coupled Cluster (UCC) approaches are an appealing route to utilising quantum hardware to perform quantum chemistry calculations, as quantum computers can in principle perform UCC calculations in a polynomially scaling fashion, as…

Quantum Physics · Physics 2022-06-15 Maria-Andreea Filip , Nathan Fitzpatrick , David Muñoz Ramo , Alex J. W. Thom

Tailored coupled cluster theory represents a computationally inexpensive way to describe static and dynamical electron correlation effects. In this work, we scrutinize the performance of various tailored coupled cluster methods externally…

Chemical Physics · Physics 2021-03-24 Aleksandra Leszczyk , Mihály Máté , Örs Legeza , Katharina Boguslawski

The critical value of the atom-field coupling strength for a finite number of atoms is deter- mined by means of both, semiclassical and exact solutions. In the semiclassical approach we use a variational procedure with coherent and…

Quantum Physics · Physics 2012-12-05 Octavio Castaños , Eduardo Nahmad-Achar , Ramón López-Peña , Jorge G. Hirsch

We show that it is possible to clone quantum states to arbitrary accuracy in the presence of a Deutschian closed timelike curve (D-CTC), with a fidelity converging to one in the limit as the dimension of the CTC system becomes large---thus…

Quantum Physics · Physics 2014-07-31 Todd A. Brun , Mark M. Wilde , Andreas Winter

We prove the unitarity of the Euclidean nonlocal scalar field theory to all perturbative orders in the loop expansion. The amplitudes in the Euclidean space are calculated assuming that all the particles have purely imaginary energies, and…

General Relativity and Quantum Cosmology · Physics 2019-05-29 Fabio Briscese , Leonardo Modesto

The ground state pairing correlations in finite fermionic systems are described with a high degree of accuracy within a variational approach based on a combined coupled-cluster and particle-number-projected BCS ansatz. The flexibility of…

Nuclear Theory · Physics 2021-06-02 V. V. Baran , J. Dukelsky

One-way measurement based quantum computations (1WQC) may describe unitary transformations, via a composition of CPTP maps which are not all unitary themselves. This motivates the following decision problems: Is it possible to determine…

Quantum Physics · Physics 2009-10-22 Niel de Beaudrap

We formulate a parity-mixed coupled-cluster (PM-CC) approach for high-precision calculations of parity non-conserving amplitudes in mono-valent atoms. Compared to the conventional formalism which uses parity-proper (PP) one-electron…

Atomic Physics · Physics 2022-02-16 H. B. Tran Tan , Di Xiao , A. Derevianko

We revise the unireps. of $U(2,2)$ describing conformal particles with continuous mass spectrum from a many-body perspective, which shows massive conformal particles as compounds of two correlated massless particles. The statistics of the…

Mathematical Physics · Physics 2014-09-22 M. Calixto , E. Perez-Romero

Despite their fundamental importance in dictating the quantum mechanical properties of a system, ground states of many-body local quantum Hamiltonians form a set of measure zero in the many-body Hilbert space. Hence determining whether a…

Disordered Systems and Neural Networks · Physics 2021-06-23 Michael Matty , Yi Zhang , T. Senthil , Eun-Ah Kim

We present the quantum-selected configuration interaction-tailored coupled-cluster (QSCI-TCC) method, a hybrid quantum-classical scheme that tailors coupled-cluster (CC) theory with a quantum-selected configuration interaction (QSCI) wave…

Chemical Physics · Physics 2025-06-23 Luca Erhart , Yuichiro Yoshida , Wataru Mizukami

We propose a general variational fermionic many-body wavefunction that generates an effective Hamiltonian in a quadratic form, which can then be exactly solved. The theory can be constructed within the density functional theory framework,…

Strongly Correlated Electrons · Physics 2020-10-30 Xindong Wang , Xiao Chen , Liqin Ke , Hai-Ping Cheng , B. N. Harmon

Under an appropriate symmetric bulk bipartition in a one-dimensional symmetry protected topological phase with the Affleck-Kennedy-Lieb-Tasaki matrix product state wave function for the odd integer spin chains, a bulk critical entanglement…

Strongly Correlated Electrons · Physics 2018-10-31 Zi-Qi Wang , Guo-Yi Zhu , Guang-Ming Zhang

We investigate the generation of quantum states and unitary operations that are ``random'' in certain respects. We show how to use such states to estimate the average fidelity, an important measure in the study of implementations of quantum…

Quantum Physics · Physics 2007-05-23 Christoph Dankert

An entangled state is said to be $m$-uniform if the reduced density matrix of any $m$ qubits is maximally mixed. This is intimately linked to pure quantum error correction codes (QECCs), which allow not only to correct errors, but also to…

Quantum Physics · Physics 2023-09-01 Sowrabh Sudevan , Daniel Azses , Emanuele G. Dalla Torre , Eran Sela , Sourin Das

Exact unitary transformations play a central role in the analysis and simulation of many-body quantum systems, yet the conditions under which they can be carried out exactly and efficiently remain incompletely understood. We show that exact…

Quantum Physics · Physics 2025-12-09 Praveen Jayakumar , Tao Zeng , Artur F. Izmaylov