Related papers: A critical assessment of the current implementatio…
We present a benchmark study of generator coordinate method (GCM) combined with eigenvector continuation (EC) in two different schemes for the low-lying states of Lipkin-Meshkov-Glick (LMG) model, where the interaction strength is treated…
Giant resonances (GRs) are a striking manifestation of collective motions in mesoscopic systems such as atomic nuclei. Until recently, theoretical investigations have essentially relied on the (quasiparticle) random phase approximation…
The Generator Coordinate Method (GCM) in the Gaussian Overlap Approximation (GOA) is applied to a description of the nuclear quadrupole collective states. The full five-dimensional quadrupole tensor is used as a set of the generator…
A new approach called the Schr\"odinger Collective Intrinsic Model (SCIM) has been developed to achieve a microscopic description of the coupling between collective and intrinsic excitations. The derivation of the SCIM proceeds in two…
The breathing-mode giant monopole resonance (GMR) is studied within the framework of the relativistic mean-field theory using the Generator Coordinate Method (GCM). The constrained incompressibility and the excitation energy of isoscalar…
Low-energy positive and negative parity collective states in the equilibrium minimum, and the dynamics of induced fission of actinide nuclei are investigated in a unified theoretical framework based on the generator coordinate method (GCM)…
The Goldstone-Brueckner perturbation theory is extended to incorporate in a simple way correlations associated with large amplitude collective motions in nuclei. The new energy expansion making use of non-orthogonal vacua still allows to…
In this work, we aim to achieve a minimal extension of the quantum-number projected generator coordinate method (PGCM) to describe Gamow-Teller (GT) transition strengths in even-even nuclei and to compute the NME of $2\nu\beta\beta$ decay.…
Geometric graph neural networks (GNNs) excel at capturing molecular geometry, yet their locality-biased message passing hampers the modeling of long-range interactions. Current solutions have fundamental limitations: extending cutoff radii…
The generator coordinate (GC) method is a variational approach to the quantum many-body problem in which interacting many-body wave functions are constructed as superpositions of (generally nonorthogonal) eigenstates of auxiliary…
The variational inclusion of spin-orbit coupling in self-consistent field (SCF) calculations requires a generalised two-component framework, which permits the single-determinant wave function to completely break spin symmetry. The…
In this work, we adopt the Gradient Projection Method (GPM) to problems of quantum control. For general $N$-level closed and open quantum systems, we derive the corresponding adjoint systems and gradients of the objective functionals, and…
The present contribution introduces a fourth-order moment formalism for particle trajectory crossing (PTC) in the framework of multiscale modeling of disperse multiphase flow. In our previous work, the ability to treat PTC was examined with…
Hybrid quantum-classical approaches offer potential solutions to quantum chemistry problems, yet they often manifest as constrained optimization problems. Here, we explore the interconnection between constrained optimization and generalized…
Pairing correlations play an important role in a variety of nuclear phenomena. However, a quantitative understanding of proton--neutron $(pn)$ pairing, especially isoscalar $pn$ pairing $(S=1, T=0)$ remains elusive. To clarify the property…
Giant resonances (GRs) are a striking manifestation of collective motions in atomic nuclei. The present paper is the second in a series of four dedicated to the use of the projected generator coordinate method (PGCM) for the ab initio…
Low energy nucleon dynamics in the effective field theory (EFT) of nuclear forces is investigated by using the formalism of the generalized quantum dynamics (GQD). This formalism is based on a generalized dynamical equation derived as the…
Numerous molecular systems, including solutions, proteins, and composite materials, can be modeled using mixed-resolution representations, of which the quantum mechanics/molecular mechanics (QM/MM) approach has become the most widely used.…
An improved version of the Cascade-Exciton Model (CEM) of nuclear reactions implemented in the codes CEM2k and the Los Alamos version of the Quark-Gluon String Model (LAQGSM) has been developed recently at LANL to describe reactions induced…
Predicting the properties of neutron-rich nuclei far from the valley of stability is one of the major challenges of modern nuclear theory. In heavy and superheavy nuclei, a difference of only a few neutrons is sufficient to change the…