Related papers: Triple electron-electron-proton excitations and se…
The $^{12}$C(p,2p)$^{11}$B reaction at $E_p =98.7$ MeV proton beam energy is analyzed using a rigorous three-particle scattering formalism extended to include the internal excitation of the nuclear core or residual nucleus. The excitation…
We employ two models of the nucleon-nucleon force: the OPE-Gaussian as well as the chiral N4LO and N4LO+ interactions with semilocal regularization in momentum space to study correlations among two-nucleon and three-nucleon elastic…
We develop a cubic scaling approach to excited-state-specific second order perturbation theory in which the completeness of a local correlation treatment is carefully matched between the ground and excited state. With this matching, the…
We present a novel approach to spin-adapted coupled cluster theory. This approach is based on the entanglement of an open-shell molecule with electrons in a non-interacting bath; together they form a closed-shell state. For the total…
Nuclear electric resonance (NER) spectroscopy is currently experiencing a revival as a tool for nuclear spin-based quantum computing. Compared to magnetic or electric fields, local electron density fluctuations caused by changes in the…
The electron correlation effects and Breit interaction as well as Quantum Electro-Dynamics (QED) effects were expected to have important contribution to the energy level and transition properties of heavy highly charged ions. The ground…
Double excitations are crucial to understanding numerous chemical, physical, and biological processes, but accurately predicting them remains a challenge. In this work, we explore the particle-particle random phase approximation (ppRPA) as…
We present a precise measurement of the cross section, proton and $\rm ^3He$ analyzing powers, and spin correlation coefficient $C_{y,y}$ for $p$-$\rm ^3He$ elastic scattering near 65 MeV, and a comparison with rigorous four-nucleon…
The extension of the highly-optimized local natural orbital (LNO) CCSD(T) method is presented for high-spin open-shell molecules. The techniques enabling the outstanding efficiency of the closed-shell LNO-CCSD(T) variant are adopted,…
In this work we propose a novel composite method for accurate calculation of the energies of many-electron atoms. The dominant contribution to the energy (pair energies) are calculated by using explicitly correlated factorisable coupled…
A precise theoretical study of the electronic structure of heavy atom diatomic molecules is of key importance to interpret the experiments in the search for violation of time-reversal (T) and spatial-parity (P) symmetries of fundamental…
The study of isolated defects in solids is a natural target for classical or quantum embedding methods that treat the defect at a high level of theory and the rest of the solid at a lower level of theory. Here, in the context of…
A quantitative understanding of the weak nuclear response is a prerequisite for the analyses of neutrino experiments such as K2K and MiniBOONE, which measure energy and angle of the muons produced in neutrino-nucleus interactions in the…
Adiabatic mixed quantum/classical molecular dynamics simulations were used to generate snapshots of the hydrated electron (e-) in liquid water at 300 K. Water cluster anions that include two complete solvation shells centered on the e- were…
We have investigated the dynamics of the electron-nuclei coupled system in quantum dots. The bunching of results of the electron spin measurements and the revival in the conditional probabilities are salient features of the nuclear spin…
We adopt two- and three-body nuclear forces derived at the next-to-next-to-leading-order (N2LO) in the framework of effective chiral perturbation theory (ChPT) to calculate the equation of state (EOS) of $\beta$-stable neutron star matter…
We describe a coupled cluster framework for coupled systems of electrons and phonons. Neutral and charged excitations are accessed via the equation-of-motion version of the theory. Benchmarks on the Hubbard-Holstein model allow us to assess…
We present an accelerated ``on-the-fly'' coupled-cluster path-integral molecular dynamics (PIMD) method for finite-temperature simulations in which electron correlation and nuclear quantum effects are treated simultaneously. The approach is…
The impact of the strongly attractive electromagnetic field of heavy nuclei on electrons in quasi-elastic (e,e') scattering is often accounted for by the effective momentum approximation. This method is a plane wave Born approximation which…
The current work presents a new single-reference method for capturing at the same time the static and dynamic electron correlation. The starting-point is a determinant wavefunction formed with natural orbitals obtained from a new…