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The Rosen-Zener model for association of atoms in a Bose-Einstein condensate is studied. Using a nonlinear Volterra integral equation, we obtain an analytic formula for final probability of the transition to the molecular state for weak…
The description of weakly bound electronic states is especially difficult with atomic orbital basis sets. The diffuse atomic basis functions that are necessary to describe the extended electronic state generate significant linear…
We have developed a new basis set family, denoted aug-cc-pVnZ-F12 (or aVnZ-F12 for short), for explicitly correlated calculations. The sets included in this family were constructed by supplementing the corresponding cc-pVnZ-F12 sets with…
The current investigation focuses on detailed analysis of the anchor based optimization approach (ABOA), its comparison with alternative global fitting protocols and on the global analysis of the truncation of basis effects in the…
A novel treatment of non-adiabatic couplings is proposed. The derivation starts from the long-known, but not well-known, fact that the wave function of the complete system of elctrons and nuclei can be written, without approximation, as a…
We present a novel nonadiabatic perturbation theory (NAPT) for correlated systems of electrons and nuclei beyond the Born-Oppenheimer (BO) approximation. The essence of the method is to exploit the smallness of the electronic-to-nuclear…
In view of the application to supernova simulations, we calculate neutrino reaction rates with nucleons via the neutral and charged currents in the supernova core in the relativistic random phase approximation (RPA) and study their effects…
We treat proton-neutron pairing amplitudes, in addition to the nuclear deformation, as generator coordinates in a calculation of the neutrinoless double-beta decay of 76Ge. We work in two oscillator shells, with a Hamiltonian that includes…
The finite basis set errors for all-electron random-phase approximation (RPA) correlation energy calculations are analyzed for isolated atomic systems. We show that, within the resolution-of-identity (RI) RPA framework, the major source of…
Quantum-information-inspired experiments in nuclear magnetic resonance spectroscopy may yield a pathway towards determining molecular structure and properties that are otherwise challenging to learn. We measure out-of-time-ordered…
The possibility of formation of Bose-Einstein Condensation (BEC) is studied in $pp$ collisions at $\sqrt s$ = 7 TeV at the Large Hadron Collider. A thermodynamically consistent non-extensive formulation of the identified hadron transverse…
The sensitivity--or rather insensitivity--of the elastic proton-nucleus reaction to the neutron radius of 208Pb is investigated using a non-relativistic impulse-approximation approach. The energy region (Tlab=500 MeV and Tlab=800 MeV) is…
We examine how to signify and quantify the mesoscopic quantum coherence of approximate two-mode NOON states and spin-squeezed two-mode Bose-Einstein condensates (BEC). We identify two criteria that verify a nonzero quantum coherence between…
Background: The interacting boson model (IBM) has been used extensively to calculate the matrix elements governing neutrinoless double-beta decay. Studies within other models indicate that a good description of neutron-proton pairing is…
The neutrino experiments utilize heavy nuclear targets to achieve high statistics neutrino-nucleus interaction event rate, which leads to systematic uncertainties in the oscillation parameters due to the nuclear effects and uncertainties in…
We present a general theory for semiconductor polarons in the framework of the Froehlich interaction between electrons and phonons. The latter is investigated using non-commuting phonon creation/annihilation operators associated with a…
The accurate determination of the lowest electron attachment ($EA$) and ionization ($IP$) energies for molecules embedded in molecular junctions is important for correctly estimating, \emph{e.g.}, the magnitude of the currents ($I$) or the…
Using the Vakarchuk formulae for the density matrix, we calculate the number N_k of atoms with momentum \hbar k for the ground state of a uniform one-dimensional periodic system of interacting bosons. We obtain for impenetrable point bosons…
Investigation of P,T-parity nonconservation (PNC) phenomena is of fundamental importance for physics. Experiments to search for PNC effects have been performed on TlF and YbF molecules and are in progress for PbO and PbF molecules. For…
Strong magnetic fields such as those found on white dwarfs have significant effects on the electronic structure of atoms and molecules. However, the vast majority of molecular studies in the literature in such fields are carried out with…