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A geometrical model for tri-nuclear molecules is presented. An analytical solution is obtained provided the nuclei, which are taken to be prolately deformed, are connected in line to each other. Furthermore, the tri-nuclear molecule is…

Nuclear Theory · Physics 2008-11-26 P. O. Hess , S. Misicu , W. Greiner , W. Scheid

The angular momentum projection (AMP) method is implemented in the deformed relativistic Hartree-Bogoliubov theory in continuum (DRHBc) with the point-coupling density functional. The wave functions of angular momentum projected states are…

Nuclear Theory · Physics 2022-01-05 Xiang-Xiang Sun , Shan-Gui Zhou

The recently observed two and four-quasiparticle high-spin rotational bands in the odd-odd nuclei $^{166, 168, 170, 172}$Re are investigated using the cranked shell model with pairing correlations treated by a particle-number conserving…

Nuclear Theory · Physics 2021-09-07 Zhen-Hua Zhang , Shuo-Yi Liu

The appearance of angular momentum in the nuclear motion of molecular systems lacking inversion symmetry under imposed thermal gradients presents a novel mechanism with potential implications for spintronics, magnetic response, and energy…

Chemical Physics · Physics 2025-08-26 Jichen Feng , Ethan Abraham , Joseph Subotnik , Abraham Nitzan

The lowest six rotational bands have been studied in the particle-rotor model with the particle-hole configuration $\pi h^1_{11/2}\otimes\nu h^{-1}_{11/2}$ and different triaxiality parameter $\gamma$. Both constant and spin-dependent…

Nuclear Theory · Physics 2010-12-28 Q. B. Chen , J. M. Yao , S. Q. Zhang , B. Qi

We investigate the accuracy of a number of wavefunction based methods at the heart of quantum chemistry for metallic systems. Using Hartree-Fock as a reference, perturbative (M{\o}ller-Plesset, MP) and coupled cluster (CC) theories are used…

Chemical Physics · Physics 2013-10-24 James J. Shepherd , Andreas Grüneis

Although self-consistent multi-configuration methods have been used for decades to address the description of atomic and molecular many-body systems, only a few trials have been made in the context of nuclear structure. This work aims at…

Nuclear Theory · Physics 2016-02-02 C. Robin , N. Pillet , D. Peña Arteaga , J. -F. Berger

The computational cost of ab initio nuclear structure calculations is rendered particularly acute by the presence of (at least) three-nucleon interactions. This feature becomes especially critical now that many-body methods aim at extending…

The shell model Monte Carlo (SMMC) approach provides a powerful method for the microscopic calculation of statistical and collective nuclear properties in model spaces that are many orders of magnitude larger than those that can be treated…

Nuclear Theory · Physics 2015-06-11 Y. Alhassid , A. Mukherjee , H. Nakada , C. Özen

We present an accelerated ``on-the-fly'' coupled-cluster path-integral molecular dynamics (PIMD) method for finite-temperature simulations in which electron correlation and nuclear quantum effects are treated simultaneously. The approach is…

Chemical Physics · Physics 2026-05-20 Thomas Spura , Hossam Elgabarty , Thomas D. Kühne

Some emerging concepts of nuclear structure are overviewed. (1) Background: the many-body quantum structure of atomic nucleus, a complex system comprising protons and neutrons (called nucleons collectively), has been studied largely based…

Nuclear Theory · Physics 2022-01-19 Takaharu Otsuka

We investigate two kinds of extensions for the variational Monte Carlo (VMC) method with the Pfaffian in the nuclear shell-model calculations. One is the extension to odd-mass nuclei, for which we find a new Pfaffian expression of the VMC…

Nuclear Theory · Physics 2018-11-21 Noritaka Shimizu , Takahiro Mizusaki

The aim of this work is to develop the relevant formalism for performing coupled-cluster (CC) calculations in nuclear matter and neutron star matter, including thereby important correlations to infinite order in the interaction and testing…

Nuclear Theory · Physics 2013-11-18 G. Baardsen , A. Ekström , G. Hagen , M. Hjorth-Jensen

We introduce perturbation and coupled-cluster theories based on a cluster mean-field reference for describing the ground state of strongly-correlated spin systems. In cluster mean-field, the ground state wavefunction is written as a simple…

During nuclear fission, a heavy nucleus splits into two rotating fragments. The associated angular momentum is large, yet the mechanism of its generation and its dependence on the mass of fragments remain poorly understood. In this Letter,…

Nuclear Theory · Physics 2021-08-11 Petar Marević , Nicolas Schunck , Jorgen Randrup , Ramona Vogt

An approximate but straight forward projection method to molecular many alpha-particle states is proposed and the overlap to the shell model space is determined. The resulting space is in accordance with the shell model, but still contains…

Nuclear Theory · Physics 2021-10-13 J. R. M. Berriel-Aguayo , P. O. Hess

The first nonperturbative version of the multireference driven similarity renormalization group (MR-DSRG) theory [C. Li and F. A. Evangelista, J. Chem. Theory Comput. $\mathbf{11}$, 2097 (2015)] is introduced. The renormalization group…

Chemical Physics · Physics 2016-05-25 Chenyang Li , Francesco A. Evangelista

Nuclear structures of the atomic nuclei can be theoretically investigated by using nuclear shell model. Generally, a doubly closed-shell nucleus has been considered as inert core and the nucleons outside the core are taken into account in…

Nuclear Theory · Physics 2020-04-14 Serkan Akkoyun , Tuncay Bayram

An electrodynamical coupled cluster (CC) methodology starting from a covariant formalism and an equal time approximation, and finally based on the Dirac-Fock picture of the electron and positron fields and Coulomb gauge, is given here. The…

Atomic Physics · Physics 2019-04-30 Sambhu N. Datta

Quantum entanglement offers a unique perspective into the underlying structure of strongly-correlated systems such as atomic nuclei. In this paper, we use quantum information tools to analyze the structure of light and medium-mass…