Related papers: Symmetry conserving Coupled Cluster Doubles wave f…
Within the infinite series of ring (or bubble) diagram approximation for the electronic self-energy as appropriate for the long-range Coulomb interaction, we calculate the density-dependent T=0 Fermi liquid quasiparticle effective mass…
Two different types of orthogonality condition models (OCM) are equivalently formulated in the Faddeev formalism. One is the OCM which uses pairwise orthogonality conditions for the relative motion of clusters, and the other is the one…
Developing theoretical understanding of complex reactions and processes at interfaces requires using methods that go beyond semilocal density functional theory to accurately describe the interactions between solvent, reactants and…
$\alpha$-cluster correlations in the ground states of $^{12}$C and $^{16}$O are studied. Because of the $\alpha$ correlations, the intrinsic states of $^{12}$C and $^{16}$O have triangle and tetrahedral shapes, respectively. The…
We consider a double dot system of equivalent, capacitively coupled semiconducting quantum dots, each coupled to its own lead, in a regime where there are two electrons on the double dot. Employing the numerical renormalization group, we…
In the molecular quantum chemistry community, coupled-cluster (CC) methods are well-recognized for their systematic convergence and reliability. The extension of the theory to extended systems has been comparably recent, so that…
We present a detailed appraisal of the optical and plasmonic properties of ordered alloys of the form Au$_{x}$Ag$_{y}$Cu$_{1-x-y}$, as predicted by means of first-principles many-body perturbation theory augmented by a semi-empirical…
In order to explore the effects of high levels of electron correlation on the real-time coupled cluster formalism and algorithmic behavior, we introduce a time-dependent implementation of the CC3 singles, doubles and approximate triples…
A coupled-cluster approach for systems of $N$ bosons in external traps is developed. In the coupled-cluster approach the exact many-body wavefunction is obtained by applying an exponential operator $\exp{T}$ to the ground configuration…
In this study, we examine the superconducting instability of a quasi-one-dimensional lattice in the Hubbard model based on the random-phase approximation (RPA) and the fluctuation exchange (FLEX) approximation. We find that a spin-singlet…
A new state specific correlation correction to configuration interaction singles (CIS) excitation energies is preseted using coupled cluster perturbation theory (CCPT). General expressions for CIS-CCPT are derived and expanded explicitly to…
The optimized effective potential (OEP) method presents an unambiguous way to construct the Kohn-Sham potential corresponding to a given diagrammatic approximation for the exchange-correlation functional. The OEP from the random-phase…
A general but simple method is proposed to eliminate the quantum fluctuations generated by selected one-body operators in the excitation spectrum of a discrete RPA Hamiltonian. This method provides an outstanding tool for the removal of the…
We propose an approximation method for thresholding of singular values using Chebyshev polynomial approximation (CPA). Many signal processing problems require iterative application of singular value decomposition (SVD) for minimizing the…
Spectral features of the odd-mass nucleus $^{195}$Pt are analyzed by means of an interacting boson-fermion Hamiltonian with SO(6) partial dynamical symmetry. For the latter, selected eigenstates are solvable and preserve the symmetry…
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…
Tuning interactions in the spin singlet and quintet channels of two colliding atoms could change the symmetry of the one-dimensional spin-3/2 fermionic systems of ultracold atoms while preserving the integrability. Here we find a novel…
We propose a novel deterministic particle method to numerically approximate the Landau equation for plasmas. Based on a new variational formulation in terms of gradient flows of the Landau equation, we regularize the collision operator to…
A reduced-complexity variant of equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) method is formulated in terms of state-averaged excited state pair natural orbitals (PNO) designed to describe manifolds of excited states.…
The single-mode spin-boson model exhibits behavior not included in the rotating wave approximation (RWA) in the ultra and deep-strong coupling regimes, where counter-rotating contributions become important. We introduce a symmetric rotating…