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We present a new approach for calculating electromagnetic excitation of nuclei as well as probabilities of emission and distributions of neutrons from decays of excited nuclear systems for ultrarelativistic, ultraperipheral heavy ion…
We revisit the connection between equation-of-motion coupled cluster (EOM-CC) and random phase approximation (RPA) explored recently by Berkelbach [J. Chem. Phys. 149, 041103 (2018)] and unify various methodological aspects of these diverse…
A direct orbital optimization method is presented for density functional calculations of excited electronic states using either a real space grid or a plane wave basis set. The method is variational, provides atomic forces in the excited…
We review recent theoretical and experimental advances toward understanding the effects of nuclear spins in confined nanostructures. These systems, which include quantum dots, defect centers, and molecular magnets, are particularly…
Two types of average neutron-proton interaction formulas are compared: In the first type, neutron-proton interactions for even-even and odd-$A$ nuclei extracted from experimental binding energies show a smooth behavior as a function of mass…
In this work, we present frozen natural orbital (FNO) based implementations of equation-of-motion (EOM) coupled-cluster (CC) with singles, doubles, and triples (SDT) for ionization potential (IP), double ionization potential (DIP), electron…
The OPERA experiment is based on a hybrid technology combining electronic detectors and nuclear emulsions. OPERA collected muon-neutrino interactions during the 2008 and 2009 physics runs of the CNGS neutrino beam, produced at CERN with an…
The modeling of neutrino-nucleus interactions constitutes a challenging source of systematic uncertainty for the extraction of precise values of neutrino oscillation parameters in long-baseline accelerator neutrino experiments. To improve…
When the number of strongly correlated electrons becomes larger, the single-reference coupled-cluster (CC) CCSD, CCSDT, etc. hierarchy displays an erratic behavior, while traditional multi-reference approaches may no longer be applicable…
We study the symmetric nuclear matter using bare nucleon-nucleon ($NN$) interactions with finite particle-number approach within finite cubic boxes. Due to the $NN$ correlations originating from bare $NN$ interaction, two nucleons can be…
Spin-isospin excitation of ${}^3$He nucleus by proton-induced charge-exchange reaction, ${}^3\mathrm{He}(p,n)ppp$, at forward neutron scattering angle is studied in a plane wave impulse approximation (PWIA). In PWIA, cross sections of the…
We describe a method for imposing the correct electron-nucleus (e-n) cusp in molecular orbitals expanded as a linear combination of (cuspless) Gaussian basis functions. Enforcing the e-n cusp in trial wave functions is an important asset in…
Entanglement may be considered a resource for quantum-information processing, as the origin of robust and universal equilibrium behaviour, but also as a limit to the validity of an effective potential approach, in which the influence of…
We investigate the basis-set convergence of electronic correlation energies calculated using coupled cluster theory and a recently proposed finite basis-set correction technique. The correction is applied to atomic and molecular systems and…
The concept of the effective one-electron potentials (OEP) has been useful for many decades in efficient description of electronic structure of chemical systems, especially extended molecular aggregates such as interacting molecules in…
Faddeev equations for elastic Nd scattering have been solved using modern NN forces combined with the Tucson-Melbourne two-pion exchange three-nucleon force, with a modification thereof closer to chiral symmetry and the Urbana IX…
Core-polarization interactions are investigated in low-energy electron elastic scattering from the atoms In,Sn,Eu,Au and At through the calculation of their electron affinities. The complex angular momentum method wherein is embedded the…
We calculate the proton and neutron spin contributions for nuclei using semi-empirical methods, as well as a novel hybrid \emph{ab initio}/semi-empirical method, for interpretation of experimental data. We demonstrate that core-polarisation…
We reexamine $\Delta$CCSD, a state-specific coupled-cluster (CC) with single and double excitations (CCSD) approach that targets excited states through the utilization of non-Aufbau determinants. This methodology is particularly efficient…
Recent relativistic coupled-cluster (RCC) calculations of electric dipole moments (EDMs) of diamagnetic atoms due to parity and time-reversal violating (P,T-odd) interactions, that are essential ingredients for probing new physics beyond…