Related papers: Linear correlations between 4He trimer and tetrame…
We investigate the intermolecular interactions between laser-cooled CaF and Ca, in their ground and excited electronic states, aiming to understand atom-exchange reaction pathways. Using state-of-the-art \textit{ab initio} quantum chemistry…
In the framework of the computational determination of highly-accurate vertical excitation energies in small organic compounds, we explore the possibilities offered by the equation-of-motion formalism relying on the approximate fourth-order…
Energies of (3s2 3p6 3d9 4l4l'), (3s2 3p5 3d10 4l4l'), and (3s 3p6 3d10 4l4l') states for Cu-like ions with Z = 30 -100 are evaluated to second order in relativistic many-body perturbation theory (RMBPT) starting from a Ni-like Dirac-Fock…
We investigate various approximations to the correlation energy of a H$_2$ molecule in the dissociation limit, where the ground state is poorly described by a single Slater determinant. The correlation energies are derived from the density…
Continuum atomic relaxation models for twisted bilayer graphene involve minimization of the sum of intralayer elastic energy and interlayer adhesion energy. The elastic energy favors a rigid twist i.e. no distortion in the twisted honeycomb…
We study the evolution of the total binding energy (TBE) and pairing energy of Pb, Hg and Ar isotopes, as a function of the nuclear deformation. As for the nuclear model, we exploit a deformed relativistic Hartree-Bogoliubov theory in the…
Subatomic systems are pivotal for understanding fundamental baryonic interactions, as they provide direct access to quark-level degrees of freedom. In particular, introducing a strange quark adds "strangeness" as a new dimension, offering a…
The longitudinal (e,e') response function of 4He is calculated precisely with full final state interaction. The explicit calculation of the four-body continuum states is avoided by the method of integral transforms. Precision tests of the…
Infinite projected entangled-pair states (iPEPS) provide a powerful tensor network ansatz for two-dimensional quantum many-body systems in the thermodynamic limit. In this paper we introduce an approach to accurately compute the energy…
We have obtained an analytic expression for the $k$ dependence of excitation energy gap for an arbitrary double $S=1/2$ spin-chain by using the nonlocal unitary transformation and the variational method. It is checked to explain the gap…
Few-body systems with large scattering length a have universal properties that do not depend on the details of their interactions at short distances. The rate constant for three-body recombination of bosonic atoms of mass m into a shallow…
The 4He+2n and t+t clustering of the 6He ground state were investigated by means of the transfer reaction 6He(p,t)4He at 25 MeV/nucleon. The experiment was performed in inverse kinematics at GANIL with the SPEG spectrometer coupled to the…
Based on our previous paper [cond-mat/0507477], we establish a general model for the whip-toroid transitions of a semiflexible homopolymer chain using the path integral method and the O(3) nonlinear sigma model on a line segment with the…
In this work we describe the rank-reduced variant of the equation-of-motion coupled cluster theory with complete inclusion of single, double, and triple excitations. The advantage of the proposed formalism in comparison with the canonical…
A mechanism of disappearance and formation of the Efimov levels of the helium ^4He trimer is studied when the force of the interatomic interaction is changed. It is shown that these levels arise from virtual levels which are in turn formed…
The present paper is related to a talk presented during the Symposium on Coherent Control and Ultracold Chemistry held during the Sixth Congress of the International Society for Theoretical Chemical Physics (ISTCP-VI, July 2008). The talk…
Analytical formulas for the excitation energies as well as for the electric quadrupole reduced transition probabilities in the ground, beta and gamma bands were derived within the coherent state model for the near vibrational and well…
The binding energies of argon dimer are calculated by solving the homogeneous Lippmann-Schwinger integral equation in momentum space. Our numerical analysis using two models of argon-argon interaction developed by Patkowski {\it et al.}…
We calculate binding energies of four molecular solids using the Hartree-Fock (HF) and second-order M{\o}ller-Plesset perturbation theory (MP2). We obtain the energies within many-body expansion (MBE) as well as using periodic boundary…
The \textit{ab initio} approach is used to evaluate the excitation energies of the $2s2p \, ^{2S+1}P_J$ states from the ground state as well as the $2s2p \, ^3P_1 \rightarrow 2s2p \, ^3P_0$ and $2s2p \, ^3P_2 \rightarrow 2s2p \, ^3P_1$…