Article
Physics, Nuclear
J. G. Li, N. Michel, W. Zuo, F. R. Xu
Summary: The Gamow shell model efficiently describes weakly bound and unbound nuclear systems, as demonstrated in this study on neutron-dripline oxygen isotopes. Continuum coupling is found to be important for describing the isotopes, especially O-28, and predicting weakly bound and resonance excited states. The radial properties of the studied many-body states are clearly depicted through one-body density analysis.
Article
Astronomy & Astrophysics
S. Kim, J. W. Hwang, Y. Satou, N. A. Orr, T. Nakamura, Y. Kondo, J. GIbelin, N. L. Achouri, T. Aumann, H. Baba, F. Delaunay, P. Doornenbal, N. Fukuda, N. Inabe, T. Isobe, D. Kameda, D. Kanno, N. Kobayashi, T. Kubo, S. Leblond, J. Lee, F. M. Marques, R. Minakata, T. Motobayashi, D. Murai, T. Murakami, K. Muto, T. Nakashima, N. Nakatsuka, A. Navin, S. Nishi, S. Ogoshi, H. Otsu, H. Satoh, Y. Shimizu, H. Suzuki, K. Takahashi, H. Takeda, S. Takeuchi, R. Tanaka, Y. Togano, A. G. Tuff, M. Vandebrouck, K. Yoneda
Summary: Unbound states in 17C were studied by removing one neutron from an 18C beam at an energy of 245 MeV/nucleon on a carbon target. The energy spectrum of 17C above the single-neutron decay threshold was reconstructed using invariant mass spectroscopy, revealing resonances at 0.52(2), 0.77(2), 1.36(1), 1.91(1), 2.22(3), and 3.20(1) MeV. Through comparisons with calculations, the resonance at 0.77(2) MeV was tentatively assigned as the second 5/2+ state, while the resonances at 1.91(1) and 3.20(1) MeV were identified as p-shell hole states with spin-parities 1/2-1 and 3/2-1, respectively. A YSOX shell-model Hamiltonian based on the monopole-based universal interaction provided a good description of the results.
Article
Physics, Nuclear
Bhoomika Maheshwari, Deepika Choudhury, Ashok Kumar Jain
Summary: The puzzle of finding consistent nuclear configurations for explaining the properties of isomers around the N = 126 closed shell has been solved using the generalized seniority scheme. The dominant orbital near Fermi energy is found to be h(9/2), but the mixing of configurations from surrounding f(7/2) and i(13/2) orbitals is crucial for explaining the properties of all isomers. The structural behavior of N = 126 isotonic isomers is similar to that of N = 124 and N = 128 isotonic isomers, due to the pairing symmetries of the nuclear many-body Hamiltonian.
Article
Physics, Nuclear
H. H. Li, J. G. Li, N. Michel, W. Zuo
Summary: Hydrogen isotopes, despite being among the lightest nuclei, are not well understood both experimentally and theoretically. This paper theoretically studies hydrogen isotopes H-4, H-7 using the Gamow shell model and performs the first direct calculation of unbound resonance hydrogen isotopes up to H-7. The calculations indicate that H-4, H-6 ground states are broad resonances, while those of H-5, H-7 are narrow, in accordance with current experimental data.
Article
Chemistry, Multidisciplinary
Katharina Boguslawski
Summary: The pair coupled cluster doubles (pCCD) ansatz is an inexpensive and accurate method for describing multi-reference problems in closed-shell systems. This method has been extended to handle open-shell molecules with up to 4 unpaired electrons, approaching chemical accuracy while remaining computationally efficient. The performance of these methods is comparable to more expensive models like DMRG or CCSD(T).
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Taylor J. J. Santaloci, Ryan C. C. Fortenberry
Summary: Deprotonated azabenzene anions require dipole moments in their corresponding neutral radicals of more than 3.5 D in order to exhibit dipole-bound excited states (DBXSs). This is notably larger than the typical 2.0-2.5 D associated with such behavior. Similar computational analysis on deprotonated purine derivatives also conducted herein only requires the more traditional 2.5 D dipole moment, implying that the single six-membered azabenzene rings have additional factors at play in binding diffuse electrons.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Wenpeng Du, Yan Gao, Brian Stankus, Xuan Xu, Haiwang Yong, Peter M. Weber
Summary: The ultrafast conformational dynamics of electronically excited N-methyl piperidine (NMP) was studied using time-resolved Rydberg fingerprint spectroscopy. The study found that intramolecular vibrational energy redistribution on a picosecond time scale leads to an equilibrium between two conformeric structures and identified the conformers as the chair and twist structures of NMP. Thermodynamic parameters for the conformeric transformation were extracted, including an enthalpy of 62 meV and an entropy of 19.70 J mol(-1) K-1 for the chair to twist reaction in the 3s excited state.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Felix Plasser, Anna Krylov, Andreas Dreuw
Summary: libwfa is an open-source software library for wavefunction analysis, offering a variety of analysis methods for post-processing excited-state calculations. These tools provide graphical representations of various excited-state processes and offer insights into electronic structure. The software is capable of automated processing of large data sets and establishes a link between many-body wavefunctions and physical and chemical models.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
(2022)
Article
Chemistry, Inorganic & Nuclear
Xinlei Yu, Dan Li, Kun Wang, Tao Xia, Chang Xu, Zhenyu Wu, Longjiu Cheng
Summary: The study demonstrates that the closed-shell Au-I attraction can be explained by covalent bond theory, where the 5d orbital of Au participates in forming the bond.
INORGANIC CHEMISTRY
(2022)
Article
Materials Science, Multidisciplinary
Andrea Vezzosi, Andrea Bertoni, Guido Goldoni
Summary: We investigate the electronic band structure of modulation-doped GaAs/AlGaAs core-shell nanowires using an 8-band Burt-Foreman k??p Hamiltonian approach. We consider Coulomb interactions and map the equations onto optimized real-space grids using the finite element method. We obtain self-consistent charge-density, single-particle subbands, density of states, and absorption spectra at different doping regimes, and observe unique features in the anisotropy of linearly polarized optical absorption.
Article
Physics, Multidisciplinary
T. Day Goodacre, A. Afanasjev, A. E. Barzakh, B. A. Marsh, S. Sels, P. Ring, H. Nakada, A. N. Andreyev, P. Van Duppen, N. A. Althubiti, B. Andel, D. Atanasov, J. Billowes, K. Blaum, T. E. Cocolios, J. G. Cubiss, G. J. Farooq-Smith, D. Fedorov, V. N. Fedosseev, K. T. Flanagan, L. P. Gaffney, L. Ghys, M. Huyse, S. Kreim, D. Lunney, K. M. Lynch, V Manea, Y. Martinez Palenzuela, P. L. Molkanov, M. Rosenbusch, R. E. Rossel, S. Rothe, L. Schweikhard, M. D. Seliverstov, P. Spagnoletti, C. Van Beveren, M. Veinhard, E. Verstraelen, A. Welker, K. Wendt, F. Wienholtz, R. N. Wolf, A. Zadvornaya, K. Zuber
Summary: This study investigates the charge radii of Hg-207 and Hg-208 for the first time and reanalyzes the data of Hg-202, Hg-203, and Hg-206. A characteristic kink in the charge radii at N=126 is discovered, offering insights into its behavior below the Z=82 proton shell closure. A new odd-even staggering mechanism is proposed, suggesting that pairing may not be crucial in explaining the phenomena at N=126.
PHYSICAL REVIEW LETTERS
(2021)
Article
Astronomy & Astrophysics
J. Kostensalo, J. Suhonen, K. Zuber
Summary: Large-scale shell-model calculations were conducted to determine the half-lives and branching ratios of the 2 nu beta beta decay of Ge-76 to different states in Se-76. The study involved calculating the wave functions of intermediate 1(+) states in As-76 and computing the nuclear matrix elements and branching ratios. The results provided insights into the behavior of the decay process and the value of the axial-vector coupling gA.
Article
Chemistry, Multidisciplinary
Kalyan Biswas, Diego Soler, Shantanu Mishra, Qiang Chen, Xuelin Yao, Ana Sanchez-Grande, Kristjan Eimre, Pingo Mutombo, Cristina Martin-Fuentes, Koen Lauwaet, Jose M. Gallego, Pascal Ruffieux, Carlo A. Pignedoli, Klaus Mullen, Rodolfo Miranda, Jose I. Urgel, Akimitsu Narita, Roman Fasel, Pavel Jelinek, David Ecij
Summary: This study explores three families of nanographenes (A, B, and C) and finds that open-shell nanographenes exhibit the strongest magnetic exchange coupling, especially near the transition from closed-shell to open-shell states. Experimental results confirm the predictions, and two specific nanographenes show record values of magnetic exchange coupling measured on the Au(111) surface, close to 200 meV. This research provides insights for designing carbon nanomaterials with robust magnetic ground states.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
German E. Pieslinger, Ivana Ramirez-Wierzbicki, Alejandro Cadranel
Summary: The excited-state version of the Creutz-Taube ion prepared via visible light excitation exhibits strong thermalization and electron delocalization properties. This state has a nanosecond lifetime and can be utilized for intermolecular electron transfer.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Review
Chemistry, Multidisciplinary
Wenbo Hu, Paras N. Prasad, Wei Huang
Summary: This article discusses the importance of manipulating dark excited states in organic materials and their application in photoactivated diagnosis and therapy. Utilizing femtosecond transient absorption spectroscopy and studying DES in nonrigid molecules revealed the relationship between structure and properties, providing new insights into the development of phototheranostics.
ACCOUNTS OF CHEMICAL RESEARCH
(2021)
Article
Instruments & Instrumentation
T. Redpath, T. Baumann, J. Brown, D. Chrisman, P. A. DeYoung, N. Frank, P. Gueye, A. N. Kuchera, H. Liu, C. Persch, S. Stephenson, K. Stiefel, M. Thoennessen, D. Votaw
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT
(2020)
Article
Geochemistry & Geophysics
Adam T. Ringler, Robert E. Anthony, Colleen A. Dalton, David C. Wilson
Summary: This study investigates the accuracy of measuring surface waves across the Global Seismographic Network. Results show an average sensor-pair amplitude deviation of approximately 4% in the 25-250 s period band, with decreasing usable data as period increases. The study highlights how data coverage and quality can limit the ability to invert for whole Earth 3D attenuation models.
BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA
(2021)
Review
Geochemistry & Geophysics
Adam T. Ringler, Robert E. Anthony, David C. Wilson, Dan Auerbach, Scott Bargabus, Pete Davis, Michael Gunnels, Katrin Hafner, James F. Holland, Aaron Kearns, Erik Klimczak
Summary: This study discusses the importance of timing accuracy in the Global Seismographic Network (GSN) and how it is maintained, with a verification of timing accuracy across the GSN by comparing cross-correlation lags between colocated sensors. The results suggest that timing across the GSN is potentially better than 10 ms, and unless clock quality is compromised, GSN data's timing accuracy should be suitable for most seismological applications requiring 10 ms accuracy.
SEISMOLOGICAL RESEARCH LETTERS
(2021)
Article
Geochemistry & Geophysics
Robert E. Anthony, Adam T. Ringler, Michael DuVernois, Kent R. Anderson, David C. Wilson
Summary: Seismograms from the South Pole provide crucial seismic records, but current sensors are unable to resolve ground motions below 25 mHz. New borehole sensor technology offers the potential to extend background noise observations to below 3 mHz, improving seismic observations at South Pole significantly.
SEISMOLOGICAL RESEARCH LETTERS
(2021)
Article
Chemistry, Multidisciplinary
Melis Kant, Pawel Jaruga, Erdem Coskun, Samuel Ward, Alexander D. Stark, Thomas Baumann, David Becker, Amitava Adhikary, Michael D. Sevilla, Miral Dizdaroglu
Summary: This study investigates the physicochemical processes and products of DNA damage caused by Ne-22 ion-beam radiation of hydrated salmon testes DNA at 77 K. Free radicals trapped at 77 K were identified using ESR spectroscopy, and mass spectrometry techniques were used to measure DNA damage and reveal formation of numerous DNA products. Results show that as the linear energy transfer of the ion-beam radiation increases, the production of DNA radicals also increases along the track of the beam until just before the Bragg peak is reached.
Article
Instruments & Instrumentation
A. K. Anthony, C. Y. Niu, R. S. Wang, J. Wieske, K. W. Brown, Z. Chajecki, W. G. Lynch, Y. Ayyad, J. Barney, T. Baumann, D. Bazin, S. Beceiro-Novo, J. Boza, J. Chen, K. J. Cook, M. Cortesi, T. Ginter, W. Mittig, A. Pype, M. K. Smith, C. Soto, C. Sumithrarachchi, J. Swaim, S. Sweany, F. C. E. Teh, C. Y. Tsang, M. B. Tsang, N. Watwood, A. H. Wuosmaa
Summary: This article introduces a successful method called HEIST for inverse kinematics measurements of heavy nuclei, which utilizes timing detectors, ion chambers, and a detector to measure time-of-flight, energy loss, and isomer decays for isotope identification calibration. Using HEIST, Pb-198 and other heavy nuclei have been successfully identified, and the charge state populations of these ions have been examined.
REVIEW OF SCIENTIFIC INSTRUMENTS
(2022)
Article
Multidisciplinary Sciences
Y. Kondo, N. L. Achouri, H. Al Falou, L. Atar, T. Aumann, H. Baba, K. Boretzky, C. Caesar, D. Calvet, H. Chae, N. Chiga, A. Corsi, F. Delaunay, A. Delbart, Q. Deshayes, Zs. Dombradi, C. A. Douma, A. Ekstrom, Z. Elekes, C. Forssen, I. Gasparic, J. -M. Gheller, J. Gibelin, A. Gillibert, G. Hagen, M. N. Harakeh, A. Hirayama, C. R. Hoffman, M. Holl, A. Horvat, A. Horvath, J. W. Hwang, T. Isobe, W. G. Jiang, J. Kahlbow, N. Kalantar-Nayestanaki, S. Kawase, S. Kim, K. Kisamori, T. Kobayashi, D. Koerper, S. Koyama, I. Kuti, V. Lapoux, S. Lindberg, F. M. Marques, S. Masuoka, J. Mayer, K. Miki, T. Murakami, M. Najafi, T. Nakamura, K. Nakano, N. Nakatsuka, T. Nilsson, A. Obertelli, K. Ogata, F. de Oliveira Santos, N. A. Orr, H. Otsu, T. Otsuka, T. Ozaki, V. Panin, T. Papenbrock, S. Paschalis, A. Revel, D. Rossi, A. T. Saito, T. Y. Saito, M. Sasano, H. Sato, Y. Satou, H. Scheit, F. Schindler, P. Schrock, M. Shikata, N. Shimizu, Y. Shimizu, H. Simon, D. Sohler, O. Sorlin, L. Stuhl, Z. H. Sun, S. Takeuchi, M. Tanaka, M. Thoennessen, H. Toernqvist, Y. Togano, T. Tomai, J. Tscheuschner, J. Tsubota, N. Tsunoda, T. Uesaka, Y. Utsuno, I. Vernon, H. Wang, Z. Yang, M. Yasuda, K. Yoneda, S. Yoshida
Summary: Subjecting a physical system to extreme conditions is a common method to gain a better understanding of its organization and structure. The investigation of isotopes with different neutron-to-proton ratios than stable nuclei is an important test for nuclear-structure theories. This study reports the first observation of the decay of O-28 and 27O isotopes and compares their decay energies with theoretical models. The results have implications for the understanding of nuclear structure.
Article
Physics, Nuclear
A. N. Kuchera, D. Bazin, T. Phan, J. A. Tostevin, M. Babo, T. Baumann, P. C. Bender, M. Bowry, J. Bradt, J. Brown, P. A. DeYoung, B. Elman, J. E. Finck, A. Gade, G. F. Grinyer, M. D. Jones, B. Longfellow, E. Lunderberg, T. H. Redpath, W. F. Rogers, K. Stiefe, M. Thoennessen, D. Votaw, D. Weisshaar, K. Whitmore, R. B. Wiringa
Summary: This study investigates nucleon removal reactions and validates the models used to calculate the removal reaction cross sections. Three different nucleon removal reactions were performed and the partial cross sections to individual final states were determined by detecting the residual nuclei in coincidence with gamma rays. Comparison between measured and calculated cross sections reveals that the theoretical description of the removal process is in better agreement with the data when removing weakly bound nucleons.
Article
Physics, Nuclear
J. Gombas, P. A. DeYoung, A. Spyrou, A. C. Dombos, A. Algora, T. Baumann, B. Crider, J. Engel, T. Ginter, E. Kwan, S. N. Liddick, S. Lyons, F. Naqvi, E. M. Ney, J. Pereira, C. Prokop, W. Ong, S. Quinn, D. P. Scriven, A. Simon, C. Sumithrarachchi
Summary: The beta decays of Nb-103, Nb-104m were studied using the SuN detector to extract the beta-decay feeding intensity distribution for each isotope and compare it with predictions made by the QRPA model. The main goal was to provide experimental data for neutron-rich nuclei and antineutrino studies of nuclear reactors. Additionally, the extracted data can lead to a better understanding of nuclear structure in a region of rapid changes around A = 100.
Article
Physics, Nuclear
A. C. Dombos, A. Spyrou, F. Naqvi, S. J. Quinn, S. N. Liddick, A. Algora, T. Baumann, J. Brett, B. P. Crider, P. A. DeYoung, T. Ginter, J. Gombas, S. Lyons, T. Marketin, P. Moller, W-J Ong, A. Palmisano, J. Pereira, C. J. Prokop, P. Sarriguren, D. P. Scriven, A. Simon, M. K. Smith, S. Valenta
Summary: The research investigated beta decay of Zr-101, Zr-102, and Tc-109 using total absorption spectroscopy, finding a mixture of different shape configurations may be necessary for better reproduction of decay distributions.
Article
Physics, Nuclear
D. Votaw, P. A. DeYoung, T. Baumann, A. Blake, J. Boone, J. Brown, D. Chrisman, J. E. Finck, N. Frank, J. Gombas, P. Gueye, J. Hinnefeld, H. Karrick, A. N. Kuchera, H. Liu, B. Luther, F. Ndayisabye, M. Neal, J. Owens-Fryar, J. Pereira, C. Persch, T. Phan, T. Redpath, W. F. Rogers, S. Stephenson, K. Stiefel, C. Sword, A. Wantz, M. Thoennessen
Article
Physics, Nuclear
D. Chrisman, A. N. Kuchera, T. Baumann, A. Blake, B. A. Brown, J. Brown, C. Cochran, P. A. DeYoung, J. E. Finck, N. Frank, P. Gueye, H. Karrick, H. Liu, J. McDonaugh, T. Mix, B. Monteagudo, T. H. Redpath, W. F. Rogers, R. Seaton-Todd, A. Spyrou, K. Stiefel, M. Thoennessen, J. A. Tostevin, D. Votaw
Summary: The experiment aimed to investigate low-lying excited states decaying by neutron emission in Ne-31, with the observation of excited states in Ne-31 and confirmation of multiple resonant states in the decay energy spectrum.
