Related papers: Constrained nuclear-electronic orbital second-orde…
Perturbative approaches are methods to efficiently tackle many-body problems, offering both intuitive insights and analysis of correlation effects. However, their application to systems where light and matter are strongly coupled is…
Including the vacuum effects, the compressional properties of nuclear matter are studied in the cutoff field theory. Under the Hartree approximation, the low-energy effective Lagrangian is derived in the framework of the renormalization…
[Background] Meticulous modeling of neutrino-nucleus interactions is essential to achieve the unprecedented precision goals of present and future accelerator-based neutrino-oscillation experiments. [Purpose] Confront our calculations of…
A natural orbital functional for electronic systems with any value of the spin is proposed. This energy functional is based on a new reconstruction for the two-particle reduced density matrix (2RDM) of the multiplet, that is, of the mixed…
We present an accurate computational study of the electronic structure and lattice dynamics of solid molecular hydrogen at high pressure. The band-gap energies of the $C2/c$, $Pc$, and $P6_3/m$ structures at pressures of 250, 300, and 350…
We present an algorithm and implementation of integral-direct, density-fitted Hartree-Fock (HF) and second-order M{\o}ller-Plesset perturbation theory (MP2) for periodic systems. The new code eliminates the formerly prohibitive storage…
First-order energy dissipative schemes in time are available in literature for the Poisson-Nernst-Planck (PNP) equations, but second-order ones are still in lack. This work proposes novel second-order discretization in time and finite…
Compressional properties of nuclear matter are studied by using the mean field theory with the excluded volume effects of the nucleons. It is found that the excluded volume effects make it possible to fit the empirical data of the Coulomb…
The coupled dynamics of low lying modes, including the scissors mode, and various giant quadrupole resonances are studied with the help of the Wigner Function Moments method generalized to take into account spin degrees of freedom.…
We apply periodic domain-based local pair natural orbital second-order M{\o}ller--Plesset perturbation theory (DLPNO-MP2) to probe the adsorption energy of CO on MgO(001), the consensus toy model system for surface adsorption. A number of…
The molecular electric dipole, quadrupole and octupole moments of a selected set of 21 spin-compensated molecules are determined employing the extended version of the Piris natural orbital functional 6 (PNOF6), using the triple-$\zeta$…
Convergence aspects of nuclear many-body perturbation theory for ground states of closed-shell nuclei are explored using a Brillouin-Wigner formulation with a new vertex function enabling high-order calculations. A general formalism for…
Theories that extend the Standard Model of particle physics often introduce new interactions that violate charge-parity (CP) symmetry. CP-violating effects within an atomic nucleus can be probed by measuring its nuclear magnetic quadrupole…
Phenomena of neutrino oscillations are discussed on the basis of two-loop radiative neutrino mechanism. Neutrino mixings are experimentally suggested to be maximal in both atmospheric and solar neutrino oscillations. By using $L_e - L_\mu -…
We develop the foundations of an effective-one-body (EOB) model for eccentric binary coalescences that includes the conservative dynamics, radiation reaction, and gravitational waveform modes from the inspiral and the merger-ringdown…
Quantifying correlation and entanglement between molecular orbitals can elucidate the role of quantum effects in strongly correlated reaction processes. However, accurately storing the wavefunction for a classical computation of those…
An updated and improved version of the effective interaction based on the Argonne\textendash Urbana nuclear Hamiltonian\textemdash derived using the formalism of Correlated Basis Functions (CBF) and the cluster expansion…
Noncommutative features are introduced into a relativistic quantum field theory model of nuclear matter, the quantum hadrodynamics-I nuclear model (QHD-I). It is shown that the nuclear matter equation of state (NMEoS) depends on the…
In this letter the conceptual and computational implications of the Hartree product type nuclear wavefunction introduced recently within the context of the ab initio non-Born-Oppenheimer Nuclear-electronic orbital (NEO) methodology are…
We present the current status of the research activities of the Ghent group on neutrino-nucleus interactions. These consist in the modeling of some of the relevant neutrino-nucleus reaction channels at intermediate energies: low-energy…