相关论文: Single-reference coupled-cluster theory based on t…

Learning latent representations from complex data is central to modern machine learning, spanning temporal, multimodal, and partially observed systems. In such settings, representations are better understood as latent states capturing…

Multireference density functional theory (MR-DFT) provides a pivotal microscopic framework for the description of the ground state properties, low-lying nuclear spectra and transition properties of atomic nuclei. Conventionally, practical…

We present a spin-free, size-extensive, and size-consistent coupled cluster method based on a generalised normal ordered exponential ansatz. This approach is a natural generalisation of single-reference coupled cluster theory for arbitrary…

Arguably the most widely used approaches for obtaining highly accurate molecular ground-state energies are coupled cluster methods. Despite introducing two layers of approximation, a linear and a nonlinear one, coupled cluster methods…

A unitary coupled-cluster (UCC)-based self-consistent electron propagator theory (EPT) is proposed for the description of electron-detached and electron-attached states. Two practical schemes, termed IP/EA-UCC3 and IP/EA-qUCCSD, are…

We extend the definition of generalized parity $P$, charge-conjugation $C$ and time-reversal $T$ operators to nondiagonalizable pseudo-Hermitian Hamiltonians, and we use these generalized operators to describe the full set of symmetries of…

A one-way quantum computer works by only performing a sequence of one-qubit measurements on a particular entangled multi-qubit state, the cluster state. No non-local operations are required in the process of computation. Any quantum logic…

A model subspace configuration interaction method is developed to obtain chemically accurate electron correlations by diagonalising a very compact effective Hamiltonian of realistic molecule. The construction of the effective Hamiltonian is…

We consider evaluation of matrix elements with the coupled-cluster method. Such calculations formally involve infinite number of terms and we devise a method of partial summation (dressing) of the resulting series. Our formalism is built…

A general quantum many-body theory in configuration space is developed by extending the traditional coupled cluter method (CCM) to a variational formalism. Two independent sets of distribution functions are introduced to evaluate the…

In this work we present an extension of the popular selected configuration interaction (SCI) algorithms to the Transcorrelated (TC) framework. Although we used in this work the recently introduced one-parameter correlation factor [E. Giner,…

A diagonalizable non-Hermitian Hamiltonian having a real spectrum may be used to define a unitary quantum system, if one modifies the inner product of the Hilbert space properly. We give a comprehensive and essentially self-contained review…

This paper proposes an intrinsic or background-independent quantum framework based on entangled state rather than absolute quantum state, it describes a quantum relative state between the under-study quantum system and the quantum measuring…

A brief overview is given of recent developments and fresh ideas at the intersection of PT and/or CPT-symmetric quantum mechanics with supersymmetric quantum mechanics (SUSY QM). We study the consequences of the assumption that the "charge"…

We reveal limitations of several standard coupled-cluster (CC) methods with perturbation-theorybased noniterative or approximate iterative treatments of triple excitations when applied to thedetermination of highly accurate potential energy…

Subspace clustering assumes that the data is sepa-rable into separate subspaces. Such a simple as-sumption, does not always hold. We assume that, even if the raw data is not separable into subspac-es, one can learn a representation…

This paper examines the features of a generalized position-dependent mass Hamiltonian in a supersymmetric framework in which the constraints of pseudo-Hermiticity and CPT are naturally embedded. Different representations of the charge…

Classical simulation of quantum physics is a central approach to investigating physical phenomena. Quantum computers enhance computational capabilities beyond those of classical resources, but it remains unclear to what extent existing…

We review the basics of the coupled-cluster expansion formalism for numerical solutions of the many-body problem, and we outline the principles of an approach directed towards an adequate inclusion of continuum effects in the associated…

The controller state and reference governor (CSRG) is an add-on scheme for nominal closed-loop systems with dynamic controllers which supervises the controller internal state and the reference input to the closed-loop system to enforce…