Related papers: A view on coupled cluster perturbation theory usin…
The time-dependent equation-of-motion coupled cluster (TD-EOM-CC) and time-dependent coupled cluster (TDCC) methods are compared by simulating Rabi oscillations for different numbers of non-interacting atoms in a classical electromagnetic…
Real-time coupled cluster (CC) methods have several advantages over their frequency-domain counterparts, namely, response and equation of motion CC theories. Broadband spectra, strong fields, and pulse manipulation allow for the simulation…
A Cluster Expansion Model (CEM), representing a relativistic extension of Mayer's cluster expansion, is constructed to study baryon number fluctuations in QCD. The temperature dependent first two coefficients, corresponding to the partial…
In this article we study the effects of higher body excitations in the relativistic CC calculations for atoms and ions with one valence electron using Fock-space CCSD, CCSD(T) and its unitary variants. The present study demonstrates that…
Quantum embedding methods have recently developed significantly to model large molecular structures. This work proposes a novel wave function theory in density functional theory (WTF-in-DFT) embedding scheme based on pair-coupled cluster…
The problem of improving the reliability of perturbative QCD predictions at moderate energies is considered. These predictions suffer from substantial renormalization scheme dependence, which is illustrated using as an example the QCD…
We introduce a novel algorithm that leverages stochastic sampling techniques to compute the perturbative triples correction in the coupled-cluster (CC) framework. By combining elements of randomness and determinism, our algorithm achieves a…
Density functional theory (DFT)-based simulations of materials have first-principles accuracy, but are very computationally expensive. For simulating various properties of multi-component alloys, the cluster expansion (CE) technique has…
An externally corrected coupled cluster (CC) method, where an adaptive configuration interaction (ACI) wave function provides the external cluster amplitudes, named ACI-CC, is presented. By exploiting the connection between configuration…
We tabulate angularly reduced fourth-order many-body corrections to matrix elements for univalent atoms, derived in [A. Derevianko and E.D. Emmons, Phys. Rev. A 65, 052115 (2002)]. In particular we focused on practically important diagrams…
We consider a new formulation of the stochastic coupled cluster method in terms of the similarity transformed Hamiltonian. We show that improvement in the granularity with which the wavefunction is represented results in a reduction in the…
We investigate the Lagrangian perturbation theory of a homogeneous and isotropic universe in the non-relativistic limit, and derive the solutions up to the fourth order. These solutions are needed for example for the next-to-leading order…
Unitary cluster expansions of the electronic wavefunction have recently gained much interest because of their use in conjunction with quantum algorithms. In this contribution, we investigate some aspects of an ansatz using generalized…
We generalize the coupled-cluster (CC) approach with singles, doubles, and the non-iterative treatment of triples termed $\Lambda$CCSD(T) to Hamiltonians containing three-body interactions. The resulting method and the underlying CC…
Coupled cluster with single, double, and perturbative triple excitations [CCSD(T)] has been extensively employed as the reference method in benchmarking different quantum chemistry methods. In this work, we test the accuracy of CCSD(T)…
We present high--spatial resolution studies of the density field as predicted by Lagrangian perturbation approximations up to the third order. The first--order approximation is equivalent to the ``Zel'dovich approximation'' for the type of…
We compare analytic predictions for real and Fourier space two-point statistics for biased tracers from a variety of Lagrangian Perturbation Theory approaches against those from state of the art N-body simulations in $f(R)$ Hu-Sawicki and…
We explore the Lagrangian perturbation theory (LPT) at 1-loop order with Gaussian initial conditions. We present an expansion method to approximately compute the power spectrum in LPT. Our approximate solution has good convergence in the…
In this paper, we report on a correctly scaling novel coupled cluster singles and doubles (CCSD) implementation for arbitrary high-spin open-shell states. The chosen cluster operator is completely spin-free, i.e. employs spatial…
We use the BBGKY hierarchy equations to calculate, perturbatively, the lowest order nonlinear correction to the two point correlation and the pair velocity for Gaussian initial conditions in a critical density matter dominated cosmological…