Article
Optics
Yangyang Guo, Anastasia Borschevsky, Ephraim Eliav, Lukas F. Pasteka
Summary: Theoretical calculations were conducted using the Dirac-Coulomb-Breit relativistic coupled cluster method to predict the electron affinities and ionization potentials of the superheavy element nihonium (Nh) and its lighter homologues In and Tl. The calculations for In and Tl agreed with experimental measurements. For Nh, where experimental data is not available, the predicted ionization potential is 7.569(48) eV and the electron affinity is 0.776(30) eV.
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
(2022)
Article
Nuclear Science & Technology
Hiroki Iwamoto, Keita Nakano, Shin-Ichiro Meigo, Daiki Satoh, Yosuke Iwamoto, Kenta Sugihara, Katsuhisa Nishio, Yoshihiro Ishi, Tomonori Uesugi, Yasutoshi Kuriyama, Hiroshi Yashima, Kota Okabe, Hiroyuki Makii, Kentaro Hirose, Riccardo Orlandi, Fumi Suzaki, Akito Oizumi, Kazuaki Tsukada, Fujio Maekawa, Yoshiharu Mori
Summary: This research measured the double-differential thick target neutron yields for Fe, Pb, and Bi targets induced by 107-MeV protons using a fixed-field alternating gradient accelerator. The results were compared with Monte Carlo-based spallation models and a high-energy nuclear data library, and it was found that INCL4.6/GEM model can be suitable for the Monte Carlo transport simulation of ADS reactor physics experiments.
JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY
(2023)
Article
Chemistry, Physical
Andrei Zaitsevskii, Nikolai S. Mosyagin, Alexander V. Oleynichenko, Ephraim Eliav
Summary: We describe a simple procedure to incorporate one-loop quantum electrodynamic (QED) corrections into the generalized nonlocal shape-consistent relativistic pseudopotential model. Pseudopotentials for Lu, Tl, and Ra are derived from solving reference atomic SCF problems with the Dirac-Coulomb-Breit Hamiltonian, with the model Lamb shift operator added. QED contributions to atomic valence excitation energies are shown to exceed the errors introduced by the pseudopotential approximation by an order of magnitude. We report pilot applications of the new model to calculate excitation energies of atomic systems using the relativistic Fock space coupled cluster method and discuss implications for molecular excited state calculations.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
(2023)
Article
Chemistry, Analytical
Ch E. Duellmann, E. Artes, A. Dragoun, R. Haas, E. Jaeger, B. Kindler, B. Lommel, K-M Mangold, C-C Meyer, C. Mokry, F. Munnik, M. Rapps, D. Renisch, J. Runke, A. Seibert, M. Stoeckl, P. Thoerle-Pospiech, C. Trautmann, N. Trautmann, A. Yakushev
Summary: This article discusses the production of heavy elements through actinide-target based nuclear fusion reactions with intense heavy-ion beams. It emphasizes the need for improved target properties and the importance of analyzing target changes in the beam.
JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
(2023)
Correction
Chemistry, Inorganic & Nuclear
Michael Goetz, Alexander Yakushev, Stefan Goetz, Antonio Di Nitto, Christoph E. Duellmann, Masato Asai, Nadine M. Chiera, Birgit Kindler, Joerg Krier, Bettina Lommel, Yuichiro Nagame, Tetsuya K. Sato, Hayato Suzuki, Tomohiro Tomitsuka, Katsuyuki Tokoi, Atsushi Toyoshima, Kazuaki Tsukada
Article
Multidisciplinary Sciences
Alexander V. Oleynichenko, Andrei Zaitsevskii, Nikolai S. Mosyagin, Alexander N. Petrov, Ephraim Eliav, Anatoly V. Titov
Summary: Generalized relativistic pseudopotentials (GRPP) are effective in accurately modeling the relativistic electronic structure of atoms, molecules, clusters, and solids. This study presents a computational procedure for evaluating one-electron integrals of GRPP, implemented in a library named LIBGRPP. Pilot applications using the new library and a relativistic coupled cluster method demonstrate the accuracy of GRPP models compared to all-electron Dirac-Coulomb-Gaunt models.
Article
Chemistry, Physical
Arie Landau, Doron Eduardus, Doron Behar, Eliana Ruth Wallach, Lukas F. Pasteka, Shirin Faraji, Anastasia Borschevsky, Yuval Shagam
Summary: Researchers have found suitable candidate molecular ions for studying parity non-conservation (PNC) in chiral molecules using precise molecular spectroscopy methods. These candidates can be generated and detected through specific techniques, meeting the experimental requirements. The results of this study are important for the first-time measurement of PNC in chiral molecules.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Eduardus, Yuval Shagam, Arie Landau, Shirin Faraji, Peter Schwerdtfeger, Anastasia Borschevsky, Lukas F. Pasteka
Summary: The isotopically chiral molecular ion CHDBrI+ is a highly promising candidate for detecting parity violation in vibrational transitions. It exhibits an exceptionally large predicted parity-violating frequency shift for the hydrogen wagging mode, which has a sub-Hz natural line width and falls within the range of available lasers. In contrast, the parent neutral molecule is significantly less sensitive to parity violation. The origin of this effect has been analyzed and explained.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Eduardus, Yuval Shagam, Arie Landau, Shirin Faraji, Peter Schwerdtfeger, Anastasia Borschevsky, Lukas F. Pasteka
Summary: The isotopically chiral molecular ion CHDBrI+ is identified as a promising candidate for detecting parity violation in vibrational transitions. It exhibits a significantly higher sensitivity to parity violation compared to the parent neutral molecule. Precision vibrational spectroscopy of CHDBrI+ is feasible and offers long interrogation times due to its ability to be prepared at internally low temperatures and resistance to predissociation.
CHEMICAL COMMUNICATIONS
(2023)
Article
Optics
I. Agustin Aucar, Yuly Chamorro, Anastasia Borschevsky
Summary: The paper presents a theoretical analysis of relativistic nuclear-spin-dependent parity-violating nuclear spin-rotation and NMR shielding tensors in tetrahedral chiral molecules. It emphasizes the significant contribution of ligands and the electronic structure of the chiral center in enhancing these effects, paving the way for targeted design of promising molecules for measurements.
Article
Optics
Marvin Gajewski, Wenbing Li, Sebastian Wolf, Walter Hahn, Christoph E. Duellmann, Dmitry Budker, Giovanna Morigi, Ferdinand Schmidt-Kaler
Summary: Motivated by the challenge of identifying intruder ions in a cold ion crystal, this study investigates calorimetry from emitted fluorescence light. The study determines the fluorescence rate of an ion crystal theoretically as a function of temperature and analyzes how the heat dissipated by collisions of an incoming intruder ion alters the scattering rate. The results demonstrate that an energy change by an incoming Th-229(10+) ion can be unambiguously detected within 100 μs via illuminating a fraction of a 10(3) ion crystal, enabling applications in thorium isotopes and highly charged ions.
Proceedings Paper
Engineering, Electrical & Electronic
Jochen Ballof, Mia Au, Ermanno Barbero, Katerina Chrysalidis, Christoph E. Duellmann, Valentin Fedosseev, Eduardo Granados, Reinhard Heinke, Bruce A. Marsh, Michael Owen, Sebastian Rothe, Thierry Stora, Alexander Yakushev
Summary: The thick-target ISOL method is capable of providing beams of over 1000 radionuclides, but non-volatile elements are not yet feasible. Volatile carrier molecules have been proposed, but their survival during the extraction and ionization process is limited. Progress has been made by using an electron-impact ion source operated at ambient temperature.
19TH INTERNATIONAL CONFERENCE ON ION SOURCES - ICIS2021
(2022)
Article
Physics, Nuclear
J. Khuyagbaatar, H. Brand, Ch E. Duellmann, F. P. Hessberger, E. Jaeger, B. Kindler, J. Krier, N. Kurz, B. Lommel, Yu Nechiporenko, Yu N. Novikov, B. Schausten, A. Yakushev
Summary: In this study, a K isomeric state in No-250, which is more stable against fission than the ground state, was experimentally investigated. The fission branch of this isomeric state was measured and a strict upper limit of 0.035 for the branching ratio for fission was obtained. The nonobservation of fission branching of the long-lived isomer is discussed, and a lower limit of 10^4 for the fission-hindrance factor caused by the K quantum number is attributed.
Article
Physics, Atomic, Molecular & Chemical
Felix Weber, Christoph Emanuel Duellmann, Vadim Gadelshin, Nina Kneip, Stephan Oberstedt, Sebastian Raeder, Joerg Runke, Christoph Mokry, Petra Thoerle-Pospiech, Dominik Studer, Norbert Trautmann, Klaus Wendt
Summary: The atomic structure of californium is probed using two-step resonance ionization spectroscopy, with efficient ionization schemes identified. Lifetimes of various atomic levels are measured and the first ionization potential of californium is determined to be more precise than the current literature value.
Article
Physics, Nuclear
S. Tanaka, K. Hirose, K. Nishio, K. R. Kean, H. Makii, R. Orlandi, K. Tsukada, Y. Aritomo
Summary: This study investigates the angular momentum of primary excited compound nuclei produced in multinucleon transfer reactions. The experimental results show that the angular momentum increases with the compound-nucleus mass, but saturates for heavier compound nuclei.
