|
2025 Journal Article Exact lattice summations for Lennard-Jones potentials coupled to a three-body Axilrod–Teller–Muto term applied to cuboidal phase transitionsRobles-Navarro, Andres, Cooper, Shaun, Buchheit, Andreas A., Busse, Jonathan K., Burrows, Antony, Smits, Odile and Schwerdtfeger, Peter (2025). Exact lattice summations for Lennard-Jones potentials coupled to a three-body Axilrod–Teller–Muto term applied to cuboidal phase transitions. The Journal of Chemical Physics, 163 (9) 094104, 1-35. doi: 10.1063/5.0276677 |
|
2025 Journal Article Exploring the mechanism of phase transitions between the hexagonal close-packed and the cuboidal structuresRobles-Navarro, Andres, Cooper, Shaun, Smits, Odile R. and Schwerdtfeger, Peter (2025). Exploring the mechanism of phase transitions between the hexagonal close-packed and the cuboidal structures. Journal of Physical Chemistry C, 129 (17), 8389-8394. doi: 10.1021/acs.jpcc.5c01083 |
|
2025 Journal Article Vacuum polarization corrections to hyperfine structure in many-electron atomsHasted, J. C., Fairhall, C. J., Smits, O. R., Roberts, B. M. and Ginges, J. S. M. (2025). Vacuum polarization corrections to hyperfine structure in many-electron atoms. Physical Review A, 111 (3) 032812. doi: 10.1103/physreva.111.032812 |
|
2025 Journal Article Smallness of the Nuclear Polarization Effect in the Hyperfine Structure of Heavy Muonic Atoms as a Stimulus for Next-Generation ExperimentsVandeleur, J., Sanamyan, G., Smits, O. R., Valuev, I. A., Oreshkina, N. S. and Ginges, J. S. M. (2025). Smallness of the Nuclear Polarization Effect in the Hyperfine Structure of Heavy Muonic Atoms as a Stimulus for Next-Generation Experiments. Physical Review Letters, 134 (9) 093003, 1-5. doi: 10.1103/physrevlett.134.093003 |
|
2025 Journal Article The theory of Barlow packings: Basic properties and cohesive energies from exact lattice summations within the sticky hard-sphere modelCooper, Shaun, Robles-Navarro, Andres, Smits, Odile R. and Schwerdtfeger, Peter (2025). The theory of Barlow packings: Basic properties and cohesive energies from exact lattice summations within the sticky hard-sphere model. The Journal of Chemical Physics, 162 (1) 014105, 1-22. doi: 10.1063/5.0241375 |
|
2024 Journal Article From hard to soft dense sphere packings: the cohesive energy of barlow structures using exact lattice summations for a general Lennard-Jones potentialCooper, Shaun, Robles-Navarro, Andres, Smits, Odile R. and Schwerdtfeger, Peter (2024). From hard to soft dense sphere packings: the cohesive energy of barlow structures using exact lattice summations for a general Lennard-Jones potential. Journal of Physical Chemistry Letters, 15 (32), 8387-8392. doi: 10.1021/acs.jpclett.4c01986 |
|
2023 Journal Article The quest for superheavy elements and the limit of the periodic tableSmits, Odile R., Duellmann, Christoph E., Indelicato, Paul, Nazarewicz, Witold and Schwerdtfeger, Peter (2023). The quest for superheavy elements and the limit of the periodic table. Nature Reviews. Physics, 6 (2), 86-98. doi: 10.1038/s42254-023-00668-y |
|
2023 Journal Article Pushing the limits of the periodic table - A review on atomic relativistic electronic structure theory and calculations for the superheavy elementsSmits, O. R., Indelicato, P., Nazarewicz, W., Piibeleht, M. and Schwerdtfeger, P. (2023). Pushing the limits of the periodic table - A review on atomic relativistic electronic structure theory and calculations for the superheavy elements. Physics Reports, 1035, 1-57. doi: 10.1016/j.physrep.2023.09.004 |
|
2022 Journal Article From the gas phase to the solid state: the chemical bonding in the superheavy element fleroviumFlorez, Edison, Smits, Odile R., Mewes, Jan-Michael, Jerabek, Paul and Schwerdtfeger, Peter (2022). From the gas phase to the solid state: the chemical bonding in the superheavy element flerovium. The Journal of Chemical Physics, 157 (6) 064304, 1-6. doi: 10.1063/5.0097642 |
|
2021 Journal Article Oganesson: a noble gas element that is neither noble nor a gasSmits, Odile R., Mewes, Jan‐Michael, Jerabek, Paul and Schwerdtfeger, Peter (2021). Oganesson: a noble gas element that is neither noble nor a gas. Angewandte Chemie International Edition, 59 (52), 23636-23640. doi: 10.1002/anie.202011976 |
|
2021 Journal Article The Lennard-Jones potential revisited: analytical expressions for vibrational effects in cubic and hexagonal close-packed latticesSchwerdtfeger, Peter, Burrows, Antony and Smits, Odile R. (2021). The Lennard-Jones potential revisited: analytical expressions for vibrational effects in cubic and hexagonal close-packed lattices. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 125 (14), 3037-3057. doi: 10.1021/acs.jpca.1c00012 |
|
2020 Journal Article Accurate elemental boiling points from first principlesMewes, Jan-Michael and Smits, Odile R. (2020). Accurate elemental boiling points from first principles. Physical Chemistry Chemical Physics, 22 (41), 24041-24050. doi: 10.1039/d0cp02884c |
|
2020 Journal Article Oganesson: Ein Edelgas, das weder edel noch ein Gas istSmits, Odile R., Mewes, Jan‐Michael, Jerabek, Paul and Schwerdtfeger, Peter (2020). Oganesson: Ein Edelgas, das weder edel noch ein Gas ist. Angewandte Chemie, 132 (52), 23843-23848. doi: 10.1002/ange.202011976 |
|
2020 Journal Article The periodic table and the physics that drives itSchwerdtfeger, Peter, Smits, Odile R. and Pyykkö, Pekka (2020). The periodic table and the physics that drives it. Nature Reviews Chemistry, 4 (7), 359-380. doi: 10.1038/s41570-020-0195-y |
|
2020 Journal Article First-principles melting of krypton and xenon based on many-body relativistic coupled-cluster interaction potentialsSmits, O. R., Jerabek, P., Pahl, E. and Schwerdtfeger, P. (2020). First-principles melting of krypton and xenon based on many-body relativistic coupled-cluster interaction potentials. Physical Review B, 101 (10) 104103, 10. doi: 10.1103/physrevb.101.104103 |
|
2019 Journal Article Copernicium: a relativistic noble liquidMewes, Jan‐Michael, Smits, Odile R., Kresse, Georg and Schwerdtfeger, Peter (2019). Copernicium: a relativistic noble liquid. Angewandte Chemie International Edition, 58 (50), 17964-17968. doi: 10.1002/anie.201906966 |
|
2019 Journal Article Copernicium: A Relativistic Noble LiquidMewes, Jan‐Michael, Smits, Odile R., Kresse, Georg and Schwerdtfeger, Peter (2019). Copernicium: A Relativistic Noble Liquid. Angewandte Chemie, 131 (50), 18132-18136. doi: 10.1002/ange.201906966 |
|
2019 Journal Article Oganesson is a semiconductor: on the relativistic band‐gap narrowing in the heaviest noble‐gas solidsMewes, Jan‐Michael, Jerabek, Paul, Smits, Odile R. and Schwerdtfeger, Peter (2019). Oganesson is a semiconductor: on the relativistic band‐gap narrowing in the heaviest noble‐gas solids. Angewandte Chemie International Edition, 58 (40), 14260-14264. doi: 10.1002/anie.201908327 |
|
2019 Journal Article Oganesson ist ein Halbleiter: Über die relativitische Bandlückenkontraktion in den schwersten EdelgasenMewes, Jan‐Michael, Jerabek, Paul, Smits, Odile R. and Schwerdtfeger, Peter (2019). Oganesson ist ein Halbleiter: Über die relativitische Bandlückenkontraktion in den schwersten Edelgasen. Angewandte Chemie, 131 (40), 14398-14402. doi: 10.1002/ange.201908327 |
|
2019 Journal Article Solid oganesson via a many-body interaction expansion based on relativistic coupled-cluster theory and from plane-wave relativistic density functional theoryJerabek, Paul, Smits, Odile R., Mewes, Jan-Michael, Peterson, Kirk A. and Schwerdtfeger, Peter (2019). Solid oganesson via a many-body interaction expansion based on relativistic coupled-cluster theory and from plane-wave relativistic density functional theory. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 123 (19), 4201-4211. doi: 10.1021/acs.jpca.9b01947 |
