Related papers: Ab initio coupled-cluster study of 16-O
We discuss an algebraic treatment of four-body clusters which includes both continuous and discrete symmetries. In particular, tetrahedral configurations with T(d) symmetry are analyzed with respect to the energy spectrum, transition form…
We employ \textit{ab initio} methods of quantum chemistry to investigate spin-1/2 fermions interacting via a two-body contact potential in a one-dimensional harmonic trap. The convergence of the total energy with the size of the…
The decay of 2-gluon colour singlets in quarks: 2g --> q-qbar +2q-2qbar has been simulated with the Monte-Carlo method, taking into account an effective 1-gluon exchange interaction between the emitted quarks, which was folded with a…
We study quantum spin systems in the 1D, 2D square and 3D cubic lattices with nearest-neighbour XY exchange. We use the coupled-cluster method (CCM) to calculate the ground-state energy, the T=0 sublattice magnetisation and the excited…
In classical computational chemistry, the coupled-cluster ansatz is one of the most commonly used $ab~initio$ methods, which is critically limited by its non-unitary nature. The unitary modification as an ideal solution to the problem is,…
Theoretical calculations suggest the presence of low-lying excited states in $^{25}$O. Previous experimental searches by means of proton knockout on $^{26}$F produced no evidence for such excitations. We search for excited states in…
The excess entanglement resulting from exciting a finite number of quasiparticles above the ground state of a free integrable quantum field theory has been investigated quite extensively in the literature. It has been found that it takes a…
We study ground- and excited-state properties of all sd-shell nuclei with neutron and proton numbers 8 <= N,Z <= 20, based on a set of low-resolution two- and three-nucleon interactions that predict realistic saturation properties of…
Using the complex scaling and the stabilization method combined with the stochastic variational approach, we have shown that there are narrow resonance states in two-dimensional three particle systems of electrons and holes interacting via…
This work presents a first time accurate calculation of the magnetic dipole hyperfine structure constants for the ground state and some low-lying excited states of Pb$^+$. By comparing different levels of approximation with experimental…
We systematically investigate the calculation of excited states in quantum chemistry using auxiliary field quantum Monte Carlo (AFQMC). Symmetry allows targeting of the lowest triplet excited states in AFQMC based on restricted open-shell…
Metallic solids are a challenging target for wavefunction-based electronic structure theories and have not been studied in great detail by such methods. Here, we use coupled-cluster theory with single and double excitations (CCSD) to study…
Experiments show that light-matter strong coupling affects chemical properties, though the underlying mechanism remains unclear. We present an ab initio quantum electrodynamics coupled cluster method for the collective strong coupling…
Accurate yet efficient modeling of chemical systems with pronounced static correlation in their excited states remains a significant challenge in quantum chemistry, as most electronic structure methods that can adequately capture static…
Previous studies have shown that the ground state of systems of nucleons composed by an equal number of protons and neutrons interacting via proton-neutron pairing forces can be described accurately by a condensate of $\alpha$-like…
Cluster structure of 16O,18O and 20O is investigated by the antisymmettrized molecular dynamics (AMD) plus generator coordinate method (GCM). We have found the K^{\pi}=0$_2^+$ and 0$_1^-$ rotational bands of 18O that have the prominent…
By employing single charge injections with an atomic force microscope, we investigated redox reactions of a molecule on a multilayer insulating film. First, we charged the molecule positively by attaching a single hole. Then we neutralized…
We present a linear-response formulation of density cumulant theory (DCT) that provides a balanced and accurate description of many electronic states simultaneously. In the original DCT formulation, only information about a single…
We review the latest variational calculations of the ground state properties of doubly closed shell nuclei, from $^{12}$C to $^{208}$Pb, with semirealistic and realistic two- and three-nucleon interactions. The studies are carried on within…
The existence of a rotational band with the $\alpha$+$^{12}$C($0_2^+$) cluster structure, in which three $\alpha$ particles in $^{12}$C($0_2^+$) are locally condensed, is demonstrated near the four-$\alpha$ threshold of $^{16}$O in…