Related papers: Three-Cluster Equation Using Two-Cluster RGM Kerne…
Seniority-zero geminal wavefunctions are known to capture bond-breaking correlation. Among this class of wavefunctions, Richardson-Gaudin states stand out as they are eigenvectors of a model Hamiltonian. This provides a clear physical…
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…
The influence of the partial-wave states with nonzero orbital moment of the nucleon pair on the binding energy of the triton in the relativistic case is considered. The relativistic generalization of the Faddeev equation in the…
In this article we propose and numerically implement a mathematical model for the simulation of three-dimensional semiconductor devices characterized by an heterogeneous material structure. The model consists of a system of nonlinearly…
The binding energies and matter distributions for the 3- body systems like $\phi$- meson + 2N, 2$\phi$ + N and 4- body system like $\phi$+3n are calculated. For the 3- particle systems two- dimensional Faddeev equations in the differential…
The computation of strongly correlated quantum systems is challenging because of its potentially exponential scaling in the number of electron configurations. Variational calculation of the two-electron reduced density matrix (2-RDM)…
Three earlier relativistic coupled-cluster (RCC) calculations of dipole polarizability ($\alpha_d$) of the Cd atom are not in good agreement with the available experimental value of $49.65(1.65) \ e a_0^3$. Among these two are finite-field…
We review recent work concerning the $\bar{K}N$ interaction and Faddeev equations with chiral dynamics which allow us to look at the $\bar{K}NN$ from a different perspective and pay attention to problems that have been posed in previous…
Tailored coupled cluster theory represents a computationally inexpensive way to describe static and dynamical electron correlation effects. In this work, we scrutinize the performance of various tailored coupled cluster methods externally…
We calculate resonances in three-body systems with attractive Coulomb potentials by solving the homogeneous Faddeev-Merkuriev integral equations for complex energies. The equations are solved by using the Coulomb-Sturmian separable…
Representability determines when a two-particle reduced density matrix (2-RDM) corresponds to a physical quantum state, enabling many-particle quantum calculations with 2-RDMs rather than the wave function. In this Letter, we present a…
We present the formulation and implementation of triples correction scheme to the relativistic equation-of-motion coupled-cluster method for ionization potential. Both full and partial triples correction schemes are implemented using the…
We investigate two simple prescriptions to account for the Pauli principle in a three-body cluster model employing a new method based on an adiabatic hyperspherical expansion to solve the Faddeev equations in coordinate space. The resulting…
The 3 alpha orthogonality condition model using the Pauli-forbidden bound states of the Buck, Friedlich and Wheatly alpha alpha potential can yield a compact 3 alpha ground state with a large binding energy, in which a small admixture of…
Coupled-cluster theory with single, double, and perturbative triple excitations (CCSD(T)) -- often considered the "gold standard" of main-group quantum chemistry -- is inapplicable to three-dimensional metals due to an infrared divergence,…
As renewable energy sources replace traditional power sources (such as thermal generators), uncertainty grows while there are fewer controllable units. To reduce operational risks and avoid frequent real-time emergency controls, a…
In the present work we report an implementation of the rank-reduced equation-of-motion coupled cluster method with approximate triple excitations (RR-EOM-CC3). The proposed variant relies on tensor decomposition techniques in order to…
We consider necessary conditions for the one-body-reduced density matrix (1RDM) to correspond to a triplet wave-function of a two electron system. The conditions concern the occupation numbers and are different for the high spin…
The projection-based quantum embedding method is applied to electronically excited states of valence, Rydberg, and charge-transfer character, valence- and core-ionized states, as well as bound and temporary radical anions. We embed…
We theoretically study the resonance fluorescence spectra of the lambda ($\Lambda$), vee ($V$) and cascade ($\Xi$) type three-level configurations. It is shown that each system with two detuning frequencies can be modelled using the $SU(3)$…