Related papers: Coupled-cluster theory for trapped bosonic mixture…
The dual exponential coupled cluster (CC) theory proposed by Tribedi et al.[J. Chem. Theory Comput. 2020, 16, 10, 6317-6328] performs significantly better than the coupled cluster theory with singles and doubles excitations (CCSD) due to…
We derive a non-equilibrium finite-temperature kinetic theory for a binary mixture of two interacting atomic Bose-Einstein condensates and use it to explore the degree of hydrodynamicity attainable in realistic experimental geometries.…
We present the positron coupled cluster singles and doubles (POS-CCSD) method to calculate positron binding energies in molecules. This framework treats electrons and positrons on an equal footing and includes up to simultaneous…
In a mixture of two kinds of identical bosons there are two types of pairs, identical bosons' pairs, of either species, and pairs of distinguishable bosons. In the present work fragmentation of pairs in a trapped mixture of Bose-Einstein…
A mixture of two kinds of identical bosons, species $1$ and species $2$, held in a harmonic potential and interacting by harmonic intra-species and inter-species particle-particle interactions is discussed. To prove Bose-Einstein…
We generalize the Aufbau suppressed coupled cluster formalism into the realm of doubly excited states by deriving, implementing, and testing a wave function initialization strategy that allows the zeroth order wave function to match the…
Multicomponent systems are defined as chemical systems that require a quantum mechanical description of two or more different types of particles. Non-Born-Oppenheimer electron-nuclear interactions in molecules, electron-hole interactions in…
The first- and second-order correlation functions of trapped, interacting Bose-Einstein condensates are investigated numerically on a many-body level from first principles. Correlations in real space and momentum space are treated. The…
We apply the concepts of nonlinear guided-wave optics to a Bose-Einstein condensate (BEC) trapped in an external potential. As an example, we consider a parabolic double-well potential and derive coupled-mode equations for the complex…
For a Bose condensate in a double-well potential or with two Josephson-coupled internal states, the condensate wavefunction is a superposition. Here we consider coupling two such Bose condensates, and suggest the existence of a joint…
The linearised time dependent coupled Gross-Pitaevskii equations describing the long wavelength excitations of Bose-condensed binary mixtures are solved, in the bulk and in harmonic traps for the case where only the binary phase is present.…
We present a complete analysis of the dynamics of a Bose-Einstein condensate trapped in a symmetric triple-well potential. Our classical analogue treatment, based on a time-dependent variational method using SU(3) coherent states, includes…
A dynamical formulation of coupled cluster theory is derived using a variational principle. By allowing time-dependent single-particle functions, a high degree of adaptivity is introduced, allowing complex systems to be simulated with high…
The tailored coupled cluster (TCC) approach is a promising ansatz that preserves the simplicity of single-reference coupled cluster theory, while incorporating a multi-reference wave function through amplitudes obtained from a preceding…
The past several years have seen renewed interest in the use of symmetry-projected Hartree-Fock for the description of strong correlations. Unfortunately, these symmetry-projected mean-field methods do not adequately account for dynamic…
We present an excited-state-specific coupled-cluster approach in which both the molecular orbitals and cluster amplitudes are optimized for an individual excited state. The theory is formulated via a pseudoprojection of the traditional…
We theoretically study binary Bose-Einstein condensates trapped in a single-well harmonic potential to probe the dynamics of collective atomic motion. The idea is to choose tunable scattering lengths through Feshbach resonances such that…
Here we analyze the collective excitations as well as the expansion of a trapped Bose-Einstein condensate with a vortex line at its center. To this end, we propose a variational method where the variational parameters have to be carefully…
We study many-body correlations in the ground states of a general quantum system of bosons or fermions by including an additional Jastrow function in our ecently proposed variational coupled-cluster method. Our approach combines the…
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…