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The existence of gaseous BeH 2 , predicted from simple valence theory, has still not been established experimentally. We have estimated the total energy of this molecule, assumed linear symmetric, as the sum of four negative terms; the calculated SCF energy, the SCF error to the Hartree-Fock limit, the correlation energy to the exact nonrelativistic energy, and the relativistic energy.
Elastic scattering cross section of low energy electrons calculated by continuum Hartree-Fock equations
Quantum correlation function for noninteracting n particle system in thermal equilibrium, noting Kirkwood superposition approximation and Hartree-Fock approximation
Hartree-Fock single determinant wavefunction calculated numerically for normal state of hydrogen molecule
Perturbation theory summation method for calculating molecular hydrogen static dipole electric polarizability, using coupled Hartree- Fock approximation
Core polarization effects in inelastic scattering cross sections for several nuclei in 2s-1d shell, using Hartree-Fock wave functions and Born approximation
Upper bounds for electromagnetic transition rates for Ne 20 determined using Hartree-Fock wave functions
Microscopic structure analysis of inverted nuclear coexistence using Hartree-Fock method
Projected Hartree-Fock wave function analysis of inelastic proton scattering from neon-20
Scattering matrix noniterative integral solutions applied to singlet and triplet s-wave Hartree-Fock phase shifts for electron-H-atom scattering
NaLi molecular and ionic electronic states, discussing valence formulation, Hartree-Fock calculations, wave functions, excited state potential, etc
Coupled channel calculation of inelastic proton scattering from Ne 20 using Hartree-Fock wave functions
Nucleus energy spectra projection from Hartree- Fock intrinsic wave functions model space, using coupled orbital matrix elements
Hartree-Fock energy levels, transition probabilities and wave functions for highly ionized atoms in B I isoelectronic sequences, including spin-orbit interactions
Results are reported for quantum-mechanical studies of the ions HSiO(+) and HOSi(+). The equilibrium geometries, rotation constants, and relative stabilities of these ions are determined using the matrix Hartree-Fock model with a basis set of Slater exponential functions. Optimum bond lengths are calculated, and an empirical correction to the computed bond lengths is introduced. The isomer HOSi(+) is found to be more stable than HSiO(+). A frequency of 35.77 GHz is obtained for the J = 1-0 transition of HOSi(+) by assuming that the vibration-rotation interaction constants for this isomer are the same as those for HCP.
Accurate modeling of the absorption of tens-of-MeV $ν_e$ on $^{40}$Ar is needed to enable measurements of astrophysical neutrinos using large liquid argon time projection chamber (LArTPC) detectors, such as those planned for the Deep Underground Neutrino Experiment (DUNE). We revisit the MARLEY neutrino interaction model used in present estimates of DUNE sensitivity to supernova and solar neutrino signals. Multiple theoretical refinements are pursued, especially in the unbound continuum region of nuclear excitation energy. Inclusive charged-current neutrino-argon cross sections are calculated using a hybrid strategy. Nuclear transitions to unbound states are treated using a Hartree-Fock Continuum Random Phase Approximation (HF-CRPA) model, including forbidden contributions. Allowed transitions to low-lying discrete levels are also included using indirect measurements and approximate corrections for the momentum transfer dependence. Exclusive predictions are obtained by coupling these calculations with a statistical nuclear de-excitation model. The impact on observables of interest for DUNE and similar experiments is examined in terms of both total and differential cross sections. Our refined calculations predict a lower allowed portion of the cross section relative to the prior MARLEY model. At neutrino energies appreciably below 100 MeV, the inclusion of forbidden transitions does not fully compensate for the loss of allowed strength. For a representative neutrino burst from a galactic core-collapse supernova, our results suggest that MARLEY 1.2.0 overestimates the event yield in a DUNE-like detector by approximately 20%. However, because this overestimation is more severe at backwards angles, use of the charged-current $ν_e$-$^{40}$Ar reaction for supernova pointing may be more feasible than previously expected.
In this Review article, a brief description of the stochastic mean-field (SMF) theory for describing reaction dynamics in low-energy heavy-ion collisions at bombarding energies in the vicinity of the Coulomb barrier is presented. In these collisions, as a result of strong Pauli blocking, binary nucleon collisions do not have a significant effect on the dissipation and fluctuations. At low energies, the mean-field fluctuations, due to initial correlations, have a dominant effect on fluctuations of macroscopic variables. The SMF theory proposes the determination of an ensemble of single-particle density matrices by specifying random initial fluctuations according to a distribution law. Employing an ensemble of single-particle density matrices, not only the mean values but also the distribution functions of the one-body observables can be determined. If the di-nuclear structure is maintained in heavy-ion collisions, such as deep inelastic collisions and fast quasi-fission reactions, a much simpler description of the reaction mechanism can be derived in terms of several macroscopic variables such as mass and charge asymmetry, and relative linear and relative angular momentum. In this case, by geometric projection of the SMF equations, it is possible to derive the quantal Langevin equations for macroscopic variables. As an application of quantal transport description, an analysis of multinucleon transfers and kinetic energy dissipation and fluctuations is presented for selected quasi-fission reactions.
Random-phase approximation of dielectric response for resonant and scattering states, describing optical absorption associated with hydrogenic excitons