Related papers: Coupled Cluster-Inspired Geminal Wavefunctions
As gravitational-wave (GW) observations of binary black holes are becoming a precision tool for physics and astronomy, several subdominant effects in the GW signals need to be accurately modeled. Previous studies have shown that neglecting…
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…
Recent studies have theoretically investigated the atomic excitation and ionization induced by the dark matter (DM)-nucleus scattering, and it is found that the suddenly recoiled atom is much more likely to excite or lose its electrons than…
The extent of ion pairing in solution is an important phenomenon to rationalise transport and thermodynamic properties of electrolytes. A fundamental measure of this pairing is the potential of mean force (PMF) between solvated ions. The…
The study of collective nonlinear dynamics of coupled mechanical resonators is regaining attention in recent years thanks to rapid developments in the fields of microelectromechanical and nanoelectromechanical systems (MEMS and NEMS). We…
A new class of analytic and parameter-free, strongly correlated wave functions of simple functional form is derived for few electrons in two-dimensional quantum dots under high magnetic fields. These wave functions are constructed through…
A novel methodology to unleash electromagnetic coupling matrix information in coupled-resonator microwave circuits has been recently proposed [1]. This information is derived from Maxwell's equations and the natural language of…
We extend recently proposed variational coupled-cluster method to describe excitation states of quantum antiferromagnetic bipartite lattices. We reproduce the spin-wave excitations (i.e., magnons with spin $\pm 1$). In addition, we obtain a…
Compact binary coalescences are a promising source of gravitational waves for second-generation interferometric gravitational-wave detectors such as advanced LIGO and advanced Virgo. While most binaries are expected to possess circular…
Orbital entropies, pair entropies, and mutual information have become popular tools for analysis of strongly correlated wave functions. They can quantitatively measure how strongly an orbital (e.g. from the DMRG active space) participates…
We investigate the use of orbital-optimized references in conjunction with single-reference coupled-cluster theory with single and double substitutions (CCSD) for the study of core excitations and ionizations of 18 small organic molecules,…
A systematic method for determining correlated wavefunctions of extended systems in the ground and excited states is presented. It allows to fully exploit the power of quantum-chemical programs designed for correlation calculations of…
We develop a variational Monte Carlo (VMC) method for electron-phonon coupled systems. The VMC method has been extensively used for investigating strongly correlated electrons over the last decades. However, its applications to…
While restricted single-reference coupled cluster theory truncated to singles and doubles (CCSD) provides very accurate results for weakly correlated systems, it usually fails in the presence of static or strong correlation. This failure is…
We discuss the concept of a mesoscopic wavefunction, first in a general context, as the concept of wavefunction has evolved, and then in a more specific context of modeling. The paper concentrates on a simple, abstract one-dimensional…
Ab initio nuclear physics tackles the problem of strongly interacting four-component fermions. The same setting could foreseeably be probed experimentally in ultracold atomic systems, where two- and three-component experiments have led to…
The generator coordinate method (GCM) casts the wavefunction as an integral over a weighted set of non-orthogonal single determinantal states. In principle this representation can be used like the configuration interaction (CI) or shell…
For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…
We present an extension of the pair coupled cluster doubles (p-CCD) method to quasiparticles and apply it to the attractive pairing Hamiltonian. Near the transition point where number symmetry gets spontaneously broken, the proposed…
Largely motivated by the development of highly sensitive gravitational-wave detectors, our understanding of merging compact binaries and the gravitational waves they generate has improved dramatically in recent years. Breakthroughs in…