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The rovibronic structure of A$^2\Sigma^+$, B$^2\Pi$ and C$^2\Pi$ states of nitric oxide (NO)is studied with the aim of producing comprehensive line lists for its near ultraviolet spectrum. Empirical energy levels for the three electronic…

Chemical Physics · Physics 2021-08-24 Qianwei Qu , Bridgette Cooper , Sergei N. Yurchenko , Jonathan Tennyson

We introduce a shell-model theory that combines traditional spherical states, which yield a diagonal representation of the usual single-particle interaction, with collective configurations that track deformations, and test the validity of…

Nuclear Theory · Physics 2009-11-07 V. G. Gueorguiev , W. E. Ormand , C. W. Johnson , J. P. Draayer

Ab initio calculations have achieved remarkable success in nuclear structure studies. Numerous works highlight the pivotal role of three-body forces in nuclear ab initio calculations. Concurrently, efforts have been made to replicate these…

Nuclear Theory · Physics 2024-06-13 P. Y. Wang , J. G. Li , S. Zhang , Q. Yuan , M. R. Xie , W. Zuo

We employ the Gamow shell model (GSM) to describe low-lying states of the oxygen isotopes 24O and 25O. The many-body Schrodinger equation is solved starting from a two-body Hamiltonian defined by a renormalized low-momentum nucleon-nucleon…

Nuclear Theory · Physics 2009-11-10 K. Tsukiyama , M. Hjorth-Jensen , G. Hagen

The main steps involved in realistic shell-model calculations employing two-body low-momentum interactions are briefly reviewed. The practical value of this approach is exemplified by the results of recent calculations and some remaining…

Nuclear Theory · Physics 2015-05-18 A. Covello , A. Gargano

In this work, we report the first complete shell-model description of low-lying structures of $^{254}$No. Employing the Kuo-Herling effective interaction, the calculations are performed within the Discrete Non-Orthogonal Shell Model…

Nuclear Theory · Physics 2025-06-18 D. D. Dao , F. Nowacki

There has been significant recent progress in solving the long-standing problems of how nuclear shell structure and collective motion emerge from underlying microscopic inter-nucleon interactions. We review a selection of recent significant…

We develop the multi-scale ab-initio scheme for correlated electrons (MACE) for transitionmetal-oxide heterostructures, and determine the parameters of the low-energy effective model. By separating Ti t2g bands near the Fermi level from the…

Strongly Correlated Electrons · Physics 2012-09-18 Motoaki Hirayama , Takashi Miyake , Masatoshi Imada

We derive and compute effective valence-space shell-model interactions from ab-initio coupled-cluster theory and apply them to open-shell and neutron-rich oxygen and carbon isotopes. Our shell-model interactions are based on nucleon-nucleon…

Nuclear Theory · Physics 2014-10-08 G. R. Jansen , J. Engel , G. Hagen , P. Navratil , A. Signoracci

A technique for describing scattering states within the nuclear shell model is proposed. This technique is applied to scattering of nucleons by $\alpha$ particles based on ab initio No-Core Shell Model calculations of $^5$He and $^5$Li…

Nuclear Theory · Physics 2016-04-19 I. A. Mazur , A. M. Shirokov , A. I. Mazur , J. P. Vary

We present an approach to derive effective shell-model interactions from microscopic nuclear forces. The similarity-transformed coupled-cluster Hamiltonian decouples the single-reference state of a closed-shell nucleus and provides us with…

Nuclear Theory · Physics 2018-12-05 Z. H. Sun , T. D. Morris , G. Hagen , G. R. Jansen , T. Papenbrock

An implementation of the shell-model to the complex energy plane is presented. The representation used in the method consists of bound single-particle states, Gamow resonances and scattering waves on the complex energy plane. Two-particle…

Nuclear Theory · Physics 2009-11-07 R. Id Betan , R. J. Liotta , N. Sandulescu , T. Vertse

An {\em ab initio} (i.e., from first principles) theoretical framework capable of providing a unified description of the structure and low-energy reaction properties of light nuclei is desirable to further our understanding of the…

Nuclear Theory · Physics 2016-04-20 S. Quaglioni , G. Hupin , A. Calci , P. Navratil , R. Roth

A realistic description of halo nuclei, characterized by low-lying breakup thresholds, requires a proper treatment of continuum effects. We have developed an ab initio approach, the no-core shell model with continuum (NCSMC), capable of…

Nuclear Theory · Physics 2026-05-26 Petr Navratil , Sofia Quaglioni , Guillaume Hupin , Michael Gennari , Kostas Kravvaris

The no-core shell model and the effective interaction $V_{{\rm low} k}$ can both be derived using the Lee-Suzuki projection operator formalism. The main difference between the two is the choice of basis states that define the model space.…

Nuclear Theory · Physics 2009-11-11 B. K. Jennings

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

A symplectic no-core shell model (Sp-NCSM) is constructed with the goal of extending the {\it ab-initio} NCSM to include strongly deformed higher-oscillator-shell configurations and to reach heavier nuclei that cannot be studied currently…

We solve for properties of $^6$Li in the ab initio No-Core Full Configuration approach and we separately solve for its ground state and $J^{\pi}=2_{2}^{+}$ resonance with the Gamow Shell Model in the Berggren basis. We employ both the…

For the purpose of elucidating the gas sensing mechanism of SnO$_2$ for NO and NO$_2$ gases, we calculate the phase diagram of SnO$_2$(110) surface in contact with an O$_2$ and NO gas environment by means of {\it ab initio} thermodynamic…

We present No-Core Full Configuration results for the ground state energies of all particle-stable p-shell nuclei, as well as the excitation energies of more than 40 narrow states, excluding isobaric analog states. We used the chiral LENPIC…

Nuclear Theory · Physics 2019-08-02 Pieter Maris , Ik Jae Shin , James P. Vary