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The nuclear shell model is a useful and widely used tool for nuclear structure, but it can be hampered by the exponential growth of the basis. Drawing inspiration from quantum information theory, one can show that the proton and neutron…

Nuclear Theory · Physics 2025-09-17 Calvin W. Johnson

The random-phase-approximation (RPA) method with separable residual forces (SRPA) is proposed for the description of multipole electric oscillations of valence electrons in deformed alkali metal clusters. Both the deformed mean field and…

Atomic and Molecular Clusters · Physics 2009-11-07 W. Kleinig , V. O. Nesterenko , P. G. Reinhard

Fixed-node diffusion Monte Carlo (DMC) is a stochastic algorithm for finding the lowest energy many-fermion wave function with the same nodal surface as a chosen trial function. It has proved itself among the most accurate methods available…

Condensed Matter · Physics 2009-10-31 W. M. C. Foulkes , Randolph Q. Hood , R. J. Needs

We present a scalable implementation of the $GW$ approximation using Gaussian atomic orbitals to study the valence and core ionization spectroscopies of molecules. The implementation of the standard spectral decomposition approach to the…

Chemical Physics · Physics 2021-12-06 Daniel Mejia-Rodriguez , Alexander Kunitsa , Edoardo Aprà , Niranjan Govind

We investigate the accuracy of several schemes to calculate ground-state correlation energies using the generator coordinate technique. Our test-bed for the study is the $sd$ interacting boson model, equivalent to a 6-level Lipkin-type…

Nuclear Theory · Physics 2013-05-29 K. Hagino , G. F. Bertsch , P. -G. Reinhard

To accurately study chemical reactions in the condensed phase or within enzymes, both a quantum-mechanical description and sufficient configurational sampling is required to reach converged estimates. Here, quantum mechanics/molecular…

Chemical Physics · Physics 2022-10-05 Albert Hofstetter , Lennard Böselt , Sereina Riniker

Magnetic fields play a fundamental role in protostellar collapse and disk formation, yet direct measurements of magnetic field strength in deeply embedded protostellar envelopes remain difficult. We present a new method to estimate both the…

Earth and Planetary Astrophysics · Physics 2026-03-24 Yisheng Tu , Xiaoyuan Yang , Zhi-Yun Li

We reformulate the density matrix renormalization group method (DMRG) in terms of a single block, instead of the standard left and right blocks used in the construction of the superblock. This version of the DMRG, which we call the puncture…

Condensed Matter · Physics 2009-10-31 M. A. Martin-Delgado , J. Rodriguez-Laguna , G. Sierra

In this thesis, an approximation for the full (3+1)D dynamics of the Glasma is presented, which breaks boost-invariance on the level of the nuclear fields and leads to rapidity dependence in the final results. For this treatment, the…

High Energy Physics - Phenomenology · Physics 2026-03-30 Kayran Schmidt

Shell-model calculations of the electric dipole (E1) polarizability have been performed for the ground state of selected p- and sd-shell nuclei, substantially advancing previous knowledge. Our results are slightly larger compared with the…

Nuclear Theory · Physics 2023-09-19 José Nicolás Orce , Cebo Ngwetsheni , B. Alex Brown

A machine learning (ML) based equivariant neural network for constructing distributed charge models (DCMs) of arbitrary resolution, DCM-net, is presented. DCMs efficiently and accurately model the anisotropy of the molecular electrostatic…

Chemical Physics · Physics 2026-02-10 Eric D. Boittier , Markus Meuwly

We introduce a scheme for molecular simulations, the Deep Potential Molecular Dynamics (DeePMD) method, based on a many-body potential and interatomic forces generated by a carefully crafted deep neural network trained with ab initio data.…

Computational Physics · Physics 2018-04-11 Linfeng Zhang , Jiequn Han , Han Wang , Roberto Car , Weinan E

The neon isotopic chain displays a rich phenomenology, ranging from clustering in the ground-state of the self-conjugate doubly open-shell stable $^{20}$Ne isotope to the physics of the island of inversion around the neutron-rich $^{30}$Ne…

Recently we have proposed a reliable method to describe the rotational band in a fully microscopic manner. The method has recourse to the configuration-mixing of several cranked mean-field wave functions after the…

Nuclear Theory · Physics 2016-05-04 Mitsuhiro Shimada , Shingo Tagami , Yoshifumi R. Shimizu

Properties like the excitation energy with respect to the ground state, moments of inertia, B(E2) transition probabilities and stability against quadrupole fluctuations at low spin of the predicted superdeformed band of ^{32}S are studied…

Nuclear Theory · Physics 2009-11-06 R. R. Rodriguez-Guzman , J. L. Egido , L. M. Robledo

Fully consistent axially-symmetric-deformed Quasi-particle Random Phase Approximation (QRPA) calculations have been performed, in which the same Gogny D1S effective force has been used for both the Hartree-Fock-Bogolyubov mean field and the…

Nuclear Theory · Physics 2008-11-26 S. Peru , H. Goutte

The generalized time-dependent generator coordinate method (TD-GCM) is extended to include pairing correlations. The correlated GCM nuclear wave function is expressed in terms of time-dependent generator states and weight functions. The…

Nuclear Theory · Physics 2024-02-05 B. Li , D. Vretenar , T. Nikšić , J. Zhao , P. W. Zhao , J. Meng

Background: Magnetic quadrupole (M2) excitation represents a fundamental feature in atomic nucleus associated to nuclear magnetism induced by spin and orbital transition operator. So far it has only been investigated within the…

Nuclear Theory · Physics 2023-04-05 G. Kružić , T. Oishi , N. Paar

Gamma strength functions (GSFs) and level densities (LDs) are essential ingredients of statistical nuclear reaction theory with many applications in astrophysics, reactor design, and waste transmutation. The aim of the present work is a…

Nuclear Experiment · Physics 2017-06-19 S. Bassauer , P. von Neumann-Cosel , A. Tamii

Very recent inelastic $\alpha$-scattering data on the isoscalar monopole and dipole strength distributions in $^{56}$Fe, $^{58}$Ni, and $^{60}$Ni are analyzed in the relativistic quasiparticle random-phase approximation (RQRPA) with the…

Nuclear Theory · Physics 2009-11-11 N. Paar , D. Vretenar , T. Niksic , P. Ring