Related papers: Ab initio coupled-cluster theory for open-shell nu…
The structure of the three-body Borromean nucleus 6He is approximated by a two-body di-neutron cluster model. The binding energy of the 2n-\alpha system is determined to obtain a correct description of the 2n-\alpha coordinate, as given by…
In this tutorial-style review we discuss basic concepts of coupled cluster theory and recent developments that increase its computational efficiency for calculations of molecules, solids and materials in general. We will touch upon the…
We scrutinize the performance of different variants of equation of motion coupled cluster (EOM-CC) methods to predict electronic excitation energies and excited state potential energy surfaces in closed-shell actinide species. We focus our…
A quantitative and predictive microscopic theoretical framework that can describe reactions induced by $\alpha$ particles ($^4$He nuclei) and heavier projectiles is currently lacking. Such a framework would contribute to reducing…
We theoretically investigate the impact of multiple plasmon resonances on the charging of Xe clusters embedded in He nanodroplets under intense pump-probe laser excitation. Our molecular dynamics simulations on Xe309He10000$ and comparison…
We present the first ab initio calculations of nuclear ground states up into the domain of heavy nuclei, spanning the range from 16-O to 132-Sn based on two- plus three-nucleon interactions derived within chiral effective field theory. We…
The alpha cluster states of 16C are investigated by using the antisymmetrized molecular dynamics. It is shown that two different types of alpha cluster states exist: triangular and linear-chain states. The former has an approximate…
An approach for explicit consideration of cluster effects in nuclear systems and accurate ab initio calculations of cluster characteristics of nuclei is devised. The essential block of the approach is a construction of a basis which…
The structure of $^8$He is investigated within a three-cluster microscopic model. The three-cluster configuration $\alpha+^2n+^2n$ was used to describe the properties of the ground state of the nucleus. The obtained results evidently…
The analysis of correlation energy of the simplest first approximation of a variational method for the intrashell states of two-electron atoms is the purpose of the present work. This method allows to divide energy of atom on Coulomb and…
We derive and implement a new way of solving coupled cluster equations with lower computational scaling. Our method is based on decomposition of both amplitudes and two electron integrals, using a combination of tensor hypercontraction and…
Theory of one-electron transition density matrices has been formulated within the time-independent coupled cluster method for the polarization propagator [R. Moszynski, P. S. \.Zuchowski, and B. Jeziorski, Coll. Czech. Chem. Commun. {\bf…
We construct an effective shell-model interaction for the valence space spanned by single-particle neutron and single-hole proton states in $^{100}$Sn. Starting from chiral nucleon-nucleon and three-nucleon forces and single-reference…
The pair coupled cluster doubles (pCCD) method (where the excitation manifold is restricted to electron pairs) has a series of interesting features. Among others, it provides ground-state energies very close to what is obtained with…
The formalism to describe electron scattering reactions on two-neutron halo nuclei is developed. The halo nucleus is described as a three-body system (core+n+n), and the wave function is obtained by solving the Faddeev equations in…
In the framework of a recently developed alpha-cluster model a nucleus is represented as a core (alpha-cluster liquid drop with dissolved excess neutron pairs in it) and a nuclear molecule on its surface. From analysis of experimental…
We compute ground and excited state properties of small helium clusters 4He_N containing a single benzene impurity molecule. Ground-state structures and energies are obtained for N=1,2,3,14 from importance-sampled, rigid-body diffusion…
Recent progress in the numerical solution of the nuclear many-body problem and in the development of nuclear Hamiltonians rooted in Quantum Chromodynamics, has opened the door to first-principle computations of nuclear reactions. In this…
Heavy-ion collisions are a good tool to explore hot nuclear matter below saturation density. It has been established that if a nuclear system reaches the thermal and chemical equilibrium, this leads to scaling properties in the isotope…
An electrodynamical coupled cluster (CC) methodology starting from a covariant formalism and an equal time approximation, and finally based on the Dirac-Fock picture of the electron and positron fields and Coulomb gauge, is given here. The…