Review
Physics, Multidisciplinary
Robert B. Baker, Matthew Burrows, Charlotte Elster, Kristina D. Launey, Pieter Maris, Gabriela Popa, Stephen P. Weppner
Summary: The effective interaction between a nucleon and a nucleus is crucial for reaction theories. Recently, the calculation of the leading order term in the Watson multiple scattering approach has been achieved ab initio, allowing for systematic exploration of uncertainties in nucleon-nucleus elastic scattering observables. This study focuses on the calculation of the leading order nucleon-nucleus interaction using a specific chiral NN interaction and light nuclei with a 0(+) ground state, and analyzes elastic scattering observables for He-4, C-12, and O-16 projectiles with energies between 65 and 200 MeV.
FRONTIERS IN PHYSICS
(2023)
Article
Astronomy & Astrophysics
S. W. Bai, A. Koszorus, B. S. Hu, X. F. Yang, J. Billowes, C. L. Binnersley, M. L. Bissell, K. Blaum, P. Campbell, B. Cheal, T. E. Cocolios, R. P. de Groote, C. S. Devlin, K. T. Flanagan, R. F. Garcia Ruiz, H. Heylen, J. D. Holt, A. Kanellakopoulos, J. Kraemer, V. Lagaki, B. Maass, S. Malbrunot-Ettenauer, T. Miyagi, R. Neugart, G. Neyens, W. Noertershaeuser, L. V. Rodriguez, F. Sommer, A. R. Vernon, S. J. Wang, X. B. Wang, S. G. Wilkins, Z. Y. Xu, C. X. Yuan
Summary: The electric quadrupole moment of Sc-49 was measured with improved precision, and the electromagnetic moments of Z = 21 and N = 28 isotopes were investigated to study single-particle behavior and nucleon-nucleon correlations. The experimental data were interpreted using different calculation methods, and they provide an important benchmark for further theoretical developments.
Article
Materials Science, Multidisciplinary
Jing Liu, Yuanchang Li
Summary: This study proposes a new design concept based on the unique feature of an excitonic insulator, negative exciton transition energy (E-t). Through first-principles calculations and experiments on one-dimensional organometallic wire, the viability of this concept is demonstrated. Substitutional doping allows for tuning the photon detection ability, providing wavelength selectivity, reduced thermal disturbance, and increased working temperature.
Article
Multidisciplinary Sciences
Jeeno Jose, Alon Zamir, Tamar Stein
Summary: The study uses quantum chemistry and ab initio molecular dynamics to model ionization processes of clusters containing cyanoacetylene and acetylene molecules, demonstrating that ionization of clusters leads to molecular formation. The research reveals the rich chemistry observed during ionization processes, providing insights for astronomers in search of aromatic molecules in the interstellar medium.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Article
Physics, Nuclear
Rong Wang, Xu-Rong Chen, Tao-Feng Wang
Summary: The properties and structure of nucleons can be modified by short-range correlations (SRC) among nucleons. By analyzing SRC ratio data, researchers have extracted the mass of a nucleon in an SRC pair and the expected number of pn-SRC pairs in deuterium. The mass deficit of the strongly overlapping nucleon can be explained by the trace anomaly contribution to the mass in QCD or alternatively by the vacuum energy in the MIT bag model.
Article
Chemistry, Physical
Cangtao Yin, Viktor Tajti, Gabor Czako
Summary: This study reports a spin-orbit-corrected analytical potential energy surface for the HBr + C2H5 -> Br + C2H6 reaction and investigates the reaction dynamics using quasi-classical methods. The simulation results show that the reaction probability exhibits a non-monotonic dependence on collision energy and is influenced by the attack angle and approach direction.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Physics, Multidisciplinary
Xiu-Niao Zhao, Wen-Qing Du
Summary: This study calculates the neutron-nucleus scattering data of the 40Ca nucleus and obtains a suitable isospin-dependent dispersive optical model potential. This potential can well describe the neutron-nucleus scattering data of the 40Ca nucleus and exhibits a typical dispersive hump behavior.
ACTA PHYSICA SINICA
(2023)
Article
Chemistry, Physical
Yujing Wu, Zeyu Jiang, Hengxin Tan, Yuanchang Li, Wenhui Duan
Summary: This study demonstrates that despite the sophisticated error cancellation mechanism in density functional theory calculations, a more accurate input does not necessarily lead to a better output. Cuprous halides are extreme cases where an optimization of the one-electron band does not result in a better exciton binding energy. Furthermore, the exchange interaction of Cu core electrons plays a crucial role in the ground-state electronic properties of cuprous halides, particularly in the energy gap and macroscopic dielectric constant.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Astronomy & Astrophysics
Feng-Kun Guo, Yuki Kamiya, Maxim Mai, Ulf-G. Meissner
Summary: Starting from the SU(3) limit, the nature of the dynamically generated resonances Lambda(1380), Lambda(1405) and Lambda(1680) were studied as the masses of pion and kaon were tuned to their physical values. It was found that the accidental symmetry of the two octets due to the leading order Weinberg-Tomozawa term is broken by the next-to-leading order terms. Most interestingly, an interchange of the two trajectories of Lambda(1380) and Lambda(1405) away from the SU(3) limit at next-to-leading order was observed.
Article
Materials Science, Multidisciplinary
Songge Yang, Yi Wang, Zi-kui Liu, Brajendra Mishra, Yu Zhong
Summary: This study systematically investigates the stability, phonon spectra, thermodynamics, and temperature-dependent elasticity of subsystems of FCC FeNiCoCr MEAs using the ab initio approach. By utilizing the quasi-harmonic approximation and the innovative Zentropy theory, the thermodynamic and elastic properties of FeNi, NiCo, FeNiCo, and FeNiCoCr MEAs considering magnetic transition were successfully predicted. The predicted results are in good agreement with available experimental data and CALPHAD prediction.
Article
Computer Science, Interdisciplinary Applications
Anup Kumar Mandia, Bhaskaran Muralidharan, Jung-Hae Choi, Seung-Cheol Lee, Satadeep Bhattacharjee
Summary: The module calculates the mobility and conductivity of semiconducting materials using Rode's algorithm with good agreement to experimental results, and shows favorable improvement compared to the RTA method.
COMPUTER PHYSICS COMMUNICATIONS
(2021)
Article
Physics, Multidisciplinary
M. U. Sohaib, N. A. Noor, Mumtaz Manzoor, A. Laref, A. Dahshan
Summary: In this study, a computational model based on density functional theory (DFT) was used to investigate the comprehensive physical characteristics of ferromagnetic Cr-based spinels LiCr2X4 (X = S, Se). The results showed the tremendous importance of these spinels in spintronics and energy storage devices. The structural parameters, negative formation energy, and Born stability criteria of the spinels were calculated, indicating their thermodynamical and structural stability. The density of states (DOS) and band structure (BS) were also calculated, revealing the potential applications of these spinels in solar cell devices. Exchange parameters were calculated to confirm the ferromagnetic behavior of the spinels. Additionally, the influence of spin on electronic transport, Seebeck coefficient, and power factor was briefly explored using classical Boltzmann transport theory.
EUROPEAN PHYSICAL JOURNAL PLUS
(2022)
Article
Chemistry, Physical
Tijo Vazhappilly, Yulun Han, Dmitri S. Kilin, David A. Micha
Summary: A theoretical treatment based on the equations of motion of an electronic reduced density matrix is used to describe relaxation times for nanostructured TiO2 surfaces with Ag and Ag-2 adsorbates. The results show that the introduction of these adsorbates enhances light absorption without rapid loss of charge carriers, indicating their potential advantage in photocatalysis.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Xin Xiang, Wei Wei, Zeng-Xia Zhao, Hong-Xing Zhang
Summary: The mechanism underlying the rhodium-(III)-catalyzed reaction of the C-H alkenylation/annulation reaction of salicylaldehydes with enynes was thoroughly investigated using DFT calculations. The study revealed that with acetate assistance, a stepwise S(N)2' cyclization, 1,3-Rh migration, beta-H elimination, and reductive elimination process occur. Substitution at C-alpha was also found to play a role in the reaction.
Article
Chemistry, Physical
Abhishek Kundu, Baishanal Mandal, Biplab Maji, Debashis Adhikari
Summary: This study investigates the solvent-dependent chemodivergence in the nitrile reduction reaction using density functional theory (DFT). The results reveal that a polar protic solvent, isopropanol, promotes the formation of secondary amines through proton hopping, while a nonpolar solvent, n-hexane, inhibits the reaction and leads to the formation of primary amines.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Physics, Nuclear
G. Salvioni, J. Dobaczewski, C. Barbieri, G. Carlsson, A. Idini, A. Pastore
JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS
(2020)
Review
Physics, Nuclear
Calvin W. Johnson, Kristina D. Launey, Naftali Auerbach, Sonia Bacca, Bruce R. Barrett, Carl Brune, Mark A. Caprio, Pierre Descouvemont, W. H. Dickhoff, Charlotte Elster, Patrick J. Fasano, Kevin Fossez, Heiko Hergert, Morten Hjorth-Jensen, Linda Hlophe, Baishan Hu, Rodolfo M. Id Betan, Andrea Idini, Sebastian Koenig, Konstantinos Kravvaris, Dean Lee, Jin Lei, Alexis Mercenne, Rodrigo Navarro Perez, Witold Nazarewicz, Filomena M. Nunes, Marek Ploszajczak, Jimmy Rotureau, Gautam Rupak, Andrey M. Shirokov, Ian Thompson, James P. Vary, Alexander Volya, Furong Xu, Remco G. T. Zegers, Vladimir Zelevinsky, Xilin Zhang
JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS
(2020)
Review
Physics, Nuclear
T. Aumann, C. Barbieri, D. Bazin, C. A. Bertulani, A. Bonaccorso, W. H. Dickhoff, A. Gade, M. Gomez-Ramos, B. P. Kay, A. M. Moro, T. Nakamura, A. Obertelli, K. Ogata, S. Paschalis, T. Uesaka
Summary: This review article discusses the current status of direct nuclear reactions and the nuclear structure aspects that can be studied through them, focusing on the spectroscopic information that can be assessed in experiments involving various types of reactions.
PROGRESS IN PARTICLE AND NUCLEAR PHYSICS
(2021)
Editorial Material
Physics, Multidisciplinary
Luigi Coraggio, Saori Pastore, Carlo Barbieri
FRONTIERS IN PHYSICS
(2021)
Article
Physics, Nuclear
V Soma, C. Barbieri, T. Duguet, P. Navratil
Summary: Ab initio calculations of bulk nuclear properties are presented for seven complete isotopic chains, showing overall good agreement with experimental data, especially for differential energies and charge radii under certain interactions. Neutron magic numbers N=28,32,34 emerge and evolve, but pairing gaps are systematically underestimated, leading to deterioration in theoretical descriptions for certain nuclei.
EUROPEAN PHYSICAL JOURNAL A
(2021)
Article
Physics, Nuclear
J. Dobaczewski, P. Baczyk, P. Becker, M. Bender, K. Bennaceur, J. Bonnard, Y. Gao, A. Idini, M. Konieczka, M. Kortelainen, L. Prochniak, A. M. Romero, W. Satula, Y. Shi, T. R. Werner, L. F. Yu
Summary: The new version of the HFODD code includes a variety of new features such as zero-range and finite-range terms, as well as corrections for several errors in previous versions.
JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS
(2021)
Article
Physics, Multidisciplinary
S. Malbrunot-Ettenauer, S. Kaufmann, S. Bacca, C. Barbieri, J. Billowes, M. L. Bissell, K. Blaum, B. Cheal, T. Duguet, R. F. Garcia Ruiz, W. Gins, C. Gorges, G. Hagen, H. Heylen, J. D. Holt, G. R. Jansen, A. Kanellakopoulos, M. Kortelainen, T. Miyagi, P. Navratil, W. Nazarewicz, R. Neugart, G. Neyens, W. Noertershauser, S. J. Novario, T. Papenbrock, T. Ratajczyk, P. G. Reinhard, L. Rodriguez, R. Sanchez, S. Sailer, A. Schwenk, J. Simonis, V Soma, S. R. Stroberg, L. Wehner, C. Wraith, L. Xie, Z. Y. Xu, X. F. Yang, D. T. Yordanov
Summary: Collinear laser spectroscopy was used to study the nuclear charge radii of nickel isotopes. Three ab initio methods were compared, with agreement in differential radii but only the NNLOsat method showing consistent absolute radii. The Skyrme functional SV-min was found to match experimental results more closely in nuclear density functional theory.
PHYSICAL REVIEW LETTERS
(2022)
Article
Astronomy & Astrophysics
T. Koiwai, K. Wimmer, P. Doornenbal, A. Obertelli, C. Barbieri, T. Duguet, J. D. Holt, T. Miyagi, P. Navratil, K. Ogata, N. Shimizu, V Soma, Y. Utsuno, K. Yoshida, N. L. Achouri, H. Baba, F. Browne, D. Calvet, F. Chateau, S. Chen, N. Chiga, A. Corsi, M. L. Cortes, A. Delbart, J-M Gheller, A. Giganon, A. Gillibert, C. Hilaire, T. Isobe, T. Kobayashi, Y. Kubota, V Lapoux, H. N. Liu, T. Motobayashi, I Murray, H. Otsu, V Panin, N. Paul, W. Rodriguez, H. Sakurai, M. Sasano, D. Steppenbeck, L. Stuhl, Y. L. Sun, Y. Togano, T. Uesaka, K. Yoneda, O. Aktas, T. Aumann, L. X. Chung, F. Flavigny, S. Franchoo, I Gasparic, R-B Gerst, J. Gibelin, K. Hahn, D. Kim, Y. Kondo, P. Koseoglou, J. Lee, C. Lehr, B. D. Linh, T. Lokotko, M. MacCormick, K. Moschner, T. Nakamura, S. Y. Park, D. Rossi, E. Sahin, P-A Soderstrom, D. Sohler, S. Takeuchi, H. Toernqvist, V. Vaquero, V Wagner, S. Wang, V Werner, X. Xu, H. Yamada, D. Yan, Z. Yang, M. Yasuda, L. Zanetti
Summary: Experimental observations on different isotopes Ca-55, Ca-57 have revealed important phenomena in their states, which are consistent with theoretical calculations. The existence of a short-lived state in Ca-57 suggests a transition in the calcium isotopic chain from single-particle dominated states at N = 35 to collective excitations at N = 37.
Article
Physics, Nuclear
C. Hebborn, F. M. Nunes, G. Potel, W. H. Dickhoff, J. W. Holt, M. C. Atkinson, R. B. Baker, C. Barbieri, G. Blanchon, M. Burrows, R. Capote, P. Danielewicz, M. Dupuis, Ch Elster, J. E. Escher, L. Hlophe, A. Idini, H. Jayatissa, B. P. Kay, K. Kravvaris, J. J. Manfredi, A. Mercenne, B. Morillon, G. Perdikakis, C. D. Pruitt, G. H. Sargsyan, I. J. Thompson, M. Vorabbi, T. R. Whitehead
Summary: We review recent progress in nuclear optical potentials and emphasize the need for further developments, especially in regions away from stability. An improved description of nuclear reactions involving short-lived isotopes has significant benefits for fundamental science discoveries and applications. We outline the methods used to build optical potentials and discuss the strengths and weaknesses of each approach. We also provide open challenges and recommendations to advance nuclear reaction studies in the rare-isotope beam era.
JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS
(2023)
Article
Physics, Nuclear
J. Ljungberg, B. G. Carlsson, J. Rotureau, A. Idini, I Ragnarsson
Summary: A method is explored to describe spectra using nuclear density functionals. This method postulates an effective Hamiltonian that reproduces the stiffness of collective modes, and provides a mapping from density functional to Hamiltonian. The effectiveness of the method is demonstrated by applying it to Cr-48, Cr-49, Cr-50, Cr-52, and Mg-24.
Article
Physics, Nuclear
Carlo Barbieri, Thomas Duguet, Vittorio Soma
Summary: This article introduces an extension of the algebraic diagrammatic construction (ADC) method to the third order as a formalism for generating the Gorkov self-energy. By combining the expansion of Gorkov propagators in Feynman diagrams with the ADC expansion, algebraic expressions for the static and dynamic contributions to the self-energy, as well as equations for the matrix elements of the Gorkov eigenvalue problem, are derived. For systems displaying rotational symmetry, a set of equations is specified. Workable approximations to the full self-consistency problem are also discussed. The third-order formalism is now complete for a general two-body Hamiltonian.
Article
Physics, Nuclear
C. A. Bertulani, A. Idini, C. Barbieri
Summary: It is commonly believed that heavy-ion nucleon knockout reactions are sensitive to the tails of bound-state wave functions, while (p, 2p) and (p, pn) reactions provide information on full overlap functions within the nucleus. Contrary to this belief, it is found that both reaction mechanisms assess not only the tail but also the internal part of overlap functions, which is crucial for accurately determining spectroscopic information.
Article
Physics, Nuclear
B. D. Linh, A. Corsi, A. Gillibert, A. Obertelli, P. Doornenbal, C. Barbieri, S. Chen, L. X. Chung, T. Duguet, M. Gomez-Ramos, J. D. Holt, A. Moro, P. Navratil, K. Ogata, N. T. T. Phuc, N. Shimizu, V Soma, Y. Utsuno, N. L. Achouri, H. Baba, F. Browne, D. Calvet, F. Chateau, N. Chiga, M. L. Cortes, A. Delbart, J-M Gheller, A. Giganon, C. Hilaire, T. Isobe, T. Kobayashi, Y. Kubota, V Lapoux, H. N. Liu, T. Motobayashi, I Murray, H. Otsu, V Panin, N. Paul, W. Rodriguez, H. Sakurai, M. Sasano, D. Steppenbeck, L. Stuhl, Y. L. Sun, Y. Togano, T. Uesaka, K. Wimmer, K. Yoneda, O. Aktas, T. Aumann, F. Flavigny, S. Franchoo, I Gasparic, R-B Gerst, J. Gibelin, K. Hahn, N. T. Khai, D. Kim, T. Koiwai, Y. Kondo, P. Koseoglou, J. Lee, C. Lehr, T. Lokotko, M. MacCormick, K. Moschner, T. Nakamura, S. Y. Park, D. Rossi, E. Sahin, D. Sohler, P-A Soderstrom, S. Takeuchi, N. D. Ton, H. Tornqvist, V. Vaquero, V Wagner, H. Wang, V Werner, X. Xu, Y. Yamada, D. Yan, Z. Yang, M. Yasuda, L. Zanetti
Summary: The first gamma-ray study of Cl-47 and Cl-49 spectroscopy was conducted at the Radioactive Isotope Beam Factory, using 50 Ar projectiles at 217 MeV/nucleon. The study involved measuring prompt deexcitation gamma rays with the NaI(T1) array DALI2(+) and determining the spin assignment for the low-lying states of Cl-49 through the one-proton knockout reaction Ar-50(p, 2p) with the SAMURAI spectrometer. The deduced spin-parity J(pi) = 3/2(+) for the ground state of Cl-49 was compared to theoretical predictions.
Article
Physics, Nuclear
F. Marino, C. Barbieri, A. Carbone, G. Colo, A. Lovato, F. Pederiva, X. Roca-Maza, E. Vigezzi
Summary: Our paper discusses the construction of a nuclear energy density functional (EDF) from ab initio computations and emphasizes the importance of a systematic approach free from ad hoc assumptions. Through the use of different Hamiltonians, we compute the equations of state (EoSs) for symmetric nuclear and pure neutron matter, and then analyze the binding energies and charge radii of different nuclei using the ab initio based EDF.
