Related papers: Cluster structures in $^{12}$C from global energy …
We develop ab-initio coupled-cluster theory to describe resonant and weakly bound states along the neutron drip line. We compute the ground states of the helium chain 3-10He within coupled-cluster theory in singles and doubles (CCSD)…
Background: A recent inelastic alpha-scattering experiment [Phys. Rev. Lett. 129, 102701 (2022)] found $0^+$ resonances in $^{24}$Mg on and above the $^{12}$C+$^{12}$C break-up threshold. It has been conjectured that the states have a…
Cluster structures and monopole transitions in positive parity states of $^{16}$O were investigated based on the generator coordinate method calculation of an extended $^{12}$C+$\alpha$ cluster model. The ground and excited states of a…
Here, we review the progress in our understanding of the structure, and electronic spectra of InAs, GaAs, InSb and CdSe clusters. First principles approaches based on Hartree-Fock and Density Functional Theory have become central to such…
We calculate cohesive properties of LiF, NaF, KF, LiCl, NaCl, and KCl with ab-initio quantum chemical methods. The coupled-cluster approach is used to correct the Hartree-Fock crystal results for correlations and to systematically improve…
We discuss resonance properties in three-body systems, with examples on $^{12}{\rm C}$ and $^{24}{\rm Mg}$. We use a microscopic cluster model, where the generator coordinate is defined in the hyperspherical formalism. The $^{12}{\rm C}$…
We present a new approach for the generation of stable structures of nanoclusters using deep learning methods. Our method consists in constructing an artificial potential energy surface, with local minima corresponding to the most stable…
The algebraic cluster model is is applied to study cluster states in the nuclei 12C and 16O. The observed level sequences can be understood in terms of the underlying discrete symmetry that characterizes the geometrical configuration of the…
The $0^{+}$ states of $^{12}\mathrm{C}$ are considered within the framework of the microscopic three-$\alpha$-cluster model. The main attention is paid to accurate calculation of the width of the extremely narrow near-threshold $0^+_2$…
Noncollinear magnetic states in clusters are studied by using the single-band Hubbard Hamiltonian. The unrestricted Hartree-Fock (UHF) approximation is considered without imposing any symmetry constraints neither to the size or orientation…
To test a multicluster approach for halo nuclei, we give a unified description for the ground states of $^6$He and $^8$He in a model comprising an $\alpha$ cluster and single-neutron clusters. The intercluster wave function is taken a…
The energy spectrum of the $^{12}C$ nucleus with $(J^{\pi}, T)=(0^+,0)$ and $(2^+,0)$ is investigated in the framework of the multicluster dynamical model by using a deep $\alpha \alpha$-potential with forbidden states in the S and D waves.…
Recent work on approximating ground states of Heisenberg spin clusters by projected Hartree-Fock theory (PHF) is extended to a cluster-based ansatz (cPHF). Whereas PHF variationally optimizes a site-spin product state for the restoration of…
The persistence of $\alpha+\alpha+t$ cluster configuration in the ground state of $^{11}$B is discussed. The $\alpha$ particles emitted from excited states of $^{12}$C could be utilized for cancer treatment, where the cluster states are…
Aberration-corrected scanning electron microscopy (AC-STEM) can provide valuable information on the atomic structure of nanoclusters, an essential input for gaining an understanding of their physical and chemical properties. A systematic…
A new method for constructing a Hamiltonian for configuration interaction calculations with constraints to energies of spherical configurations obtained with energy-density-functional (EDF) methods is presented. This results in a unified…
A multi-configuration mixing approach built on essentially complex, symmetry-projected Hartree-Fock-Bogoliubov (HFB) mean fields is introduced. The mean fields are obtained by variation after projection. The configuration space consists out…
The Hamiltonian Mean Field (HMF) model has a low-energy phase where $N$ particles are trapped inside a cluster. Here, we investigate some properties of the trapping/untrapping mechanism of a single particle into/outside the cluster. Since…
Multiconfigurational Hartree-Fock theory is presented and implemented in an investigation of the fragmentation of a Bose-Einstein condensate made of identical bosonic atoms in a double well potential at zero temperature. The approach builds…
We propose a relativistic unitary coupled cluster (UCC) expectation value approach for computing first-order properties of heavy-element systems. Both perturbative (UCC3) and non-perturbative (qUCC) commutator-based formulations are applied…