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We formulate and implement the core-valence separated multireference equation-of-motion driven similarity renormalization group method (CVS-IP-EOM-DSRG) for simulating X-ray photoelectron spectra (XPS) of strongly correlated molecular…

Chemical Physics · Physics 2025-09-29 Shuhang Li , Zijun Zhao , Francesco A. Evangelista

A brief review of the interaction-round-a-face (IRF) density-matrix renormalization-group (DMRG) method. We have demonstrated the numerical superiority of IRF-DMRG method applied to SU(2) invariant quantum spin chains over the conventional…

Statistical Mechanics · Physics 2009-11-07 Tatsuaki Wada , Tomotoshi Nishino

Background: Recent developments in {\it ab initio} nuclear theory demonstrate promising results in medium- to heavy-mass nuclei. A particular challenge for many of the many-body methodologies, however, is an accurate treatment of the…

Nuclear Theory · Physics 2022-03-30 S. R. Stroberg , J. Henderson , G. Hackman , P. Ruotsalainen , G. Hagen , J. D. Holt

With the goal of developing predictive ab-initio capability for light and medium-mass nuclei, two-nucleon and three-nucleon forces from chiral effective field theory are optimized simultaneously to low-energy nucleon-nucleon scattering…

In the past decades, it has been shown that the three-body force is necessary for a fully microscopic understanding of nuclear many-body systems, and thus efficient schemes for storing and utilizing three-body matrix elements have been…

Nuclear Theory · Physics 2022-08-05 Sota Yoshida

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

We study the efficacy of a new ab initio framework that combines the symmetry-adapted (SA) no-core shell-model approach with the resonating group method (RGM) for unified descriptions of nuclear structure and reactions. We obtain ab initio…

A microscopic description of nuclei is important to understand the nuclear shell-model from fundamental principles. This is difficult to achieve for more than the lightest nuclei without an effective approximation scheme. The purpose of…

Nuclear Theory · Physics 2013-08-19 Gustav R. Jansen

We study the spectra of neutron-rich oxygen isotopes based on chiral two- and three-nucleon interactions. First, we benchmark our many-body approach by comparing ground-state energies to coupled-cluster results for the same two-nucleon…

Nuclear Theory · Physics 2013-03-20 J. D. Holt , J. Menendez , A. Schwenk

We probe nuclear multipole resonances in the framework of the random-phase approximation by using the interaction obtained from the chiral effective field theory. The three-nucleon force is included in a form of the in-medium two-nucleon…

Nuclear Theory · Physics 2020-05-20 B. S. Hu , Q. Wu , Q. Yuan , Y. Z. Ma , X. Q. Yan , F. R. Xu

We present theoretical ground state energies and their uncertainties for p-shell nuclei obtained from chiral effective field theory internucleon interactions as a function of chiral order, fitted to two- and three-body data only. We apply a…

Nuclear Theory · Physics 2023-06-01 P. Maris , H. Le , A. Nogga , R. Roth , J. P. Vary

Functional renormalization group (FRG) methods applied to calculations of isospin-symmetric and asymmetric nuclear matter as well as neutron matter are reviewed. The approach is based on a chiral Lagrangian expressed in terms of nucleon and…

Nuclear Theory · Physics 2017-03-08 Matthias Drews , Wolfram Weise

We report ab initio benchmark calculations of nuclear matrix elements (NMEs) for neutrinoless double-beta ($0\nu\beta\beta$) decays in light nuclei with mass number ranging from $A=6$ to $A=22$. We use the transition operator derived from…

Nuclear Theory · Physics 2021-01-27 J. M. Yao , A. Belley , R. Wirth , T. Miyagi , C. G. Payne , S. R. Stroberg , H. Hergert , J. D. Holt

We report \textit{ab initio} no-core shell model (NCSM) study of $^{18-24}$Ne isotopes for energy spectra, electromagnetic properties, and point-proton radii using three realistic $NN$ interactions. We have used inside nonlocal outside…

Nuclear Theory · Physics 2023-02-08 Chandan Sarma , Praveen C. Srivastava

We have developed a realistic nucleon-nucleon (NN) interaction, dubbed Daejeon16. We start from a SRG (similarity renormalization group) evolved chiral N3LO interaction. We then apply PETs (phase-equivalent transformations) to the…

Nuclear Theory · Physics 2019-10-11 Y. Kim , I. J. Shin , A. M. Shirokov , M. Sosonkina , P. Maris , J. P. Vary

Three-nucleon forces are an essential ingredient for an accurate description of nuclear few- and many-body systems. However, implementing them directly in many-body calculations is technically very challenging. Thus, there is a need for an…

Nuclear Theory · Physics 2021-01-07 Lukas Treuer

We performed \textit{ab initio} valence-space in-medium similarity renormalization group (VS-IMSRG) calculations based on chiral two-nucleon and three-nucleon interactions to investigate the anomalous seniority breaking in the neutron…

Nuclear Theory · Physics 2024-09-17 Q. Yuan , B. S. Hu

Applications of the similarity renormalization group (SRG) approach [F. Wegner, Ann. Phys. 506, 77 (1994), S. D. G{\l}azek and K. G. Wilson, Phys. Rev. D 49, 4214 (1994)] to the formulation of useful many-body theories of electron…

Chemical Physics · Physics 2015-06-19 Francesco A. Evangelista

This study examines several techniques to improve the efficiency of the linearized multireference driven similarity renormalization group truncated to one- and two-body operators [MR-LDSRG(2)]. We propose a sequential MR-LDSRG(2)…

Chemical Physics · Physics 2019-03-29 Tianyuan Zhang , Chenyang Li , Francesco A. Evangelista

The pairing gap plays a fundamental role in the nuclear many-body problem and many large scale and accurate mass formula fits suggest the smooth nuclear mass dependence $\Delta \sim 6(1)~ A^{-1/3}~{\rm MeV}$ in the liquid drop model which…

Nuclear Theory · Physics 2017-06-30 E. Ruiz Arriola , S. Szpigel , V. S. Timoteo
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