Collect. Czech. Chem. Commun.
2007, 72, 197-222
https://doi.org/10.1135/cccc20070197
Hartree-Fock Stability and Broken Symmetry Solutions of O2- and S2- Anions in External Confinement
Filip Holkaa, Pavel Neográdya, Miroslav Urbana,* and Josef Paldusb
a Department of Physical and Theoretical Chemistry, Faculty of Natural Sciences, Comenius University, Mlynská dolina, Bratislava, SK-84215 Slovakia
b Max-Planck-Institut für Astrophysik, Karl-Schwarzschild-Strasse 1, D-85741 Garching, Germany
Crossref Cited-by Linking
- Pašteka L. F., Helgaker T., Saue T., Sundholm D., Werner H.-J., Hasanbulli M., Major J., Schwerdtfeger P.: Atoms and molecules in soft confinement potentials. Molecular Physics 2020, 118. <https://doi.org/10.1080/00268976.2020.1730989>
- Uhlířová T., Zamastil J.: Stability of the closed-shell atomic configurations with respect to variations in nuclear charge. Phys. Rev. A 2020, 101. <https://doi.org/10.1103/PhysRevA.101.062504>
- Holka F., Urban M., Neogrády P., Paldus J.: CCSD(T) calculations of confined systems: In-crystal polarizabilities of F−, Cl−, O2 −, and S2 −. The Journal of Chemical Physics 2014, 141. <https://doi.org/10.1063/1.4902353>
- Paldus Josef, Sako Tokuei, Li Xiangzhu, Diercksen Geerd H. F.: Symmetry-breaking in the independent particle model: nature of the singular behavior of Hartree–Fock potentials. J Math Chem 2013, 51, 427. <https://doi.org/10.1007/s10910-012-0093-8>
- Zilberberg Igor, Ruzankin Sergey: Paired orbitals for different spins equations. J Comput Chem 2010, 31, 84. <https://doi.org/10.1002/jcc.21294>
- Li Xiangzhu, Paldus Josef: Symmetry breaking in spin‐restricted, open‐shell Hartree–Fock wave functions. Int J of Quantum Chemistry 2009, 109, 1756. <https://doi.org/10.1002/qua.22098>
- Li Xiangzhu, Paldus Josef: Computation of molecular vibrational frequencies using anomalous harmoniclike potentials. The Journal of Chemical Physics 2009, 131. <https://doi.org/10.1063/1.3192100>
- Paldus Josef, Thiamová Gabriela: Approximate symmetry-breaking in the independent particle model of monocyclic completely conjugated polyenes. J Math Chem 2008, 44, 88. <https://doi.org/10.1007/s10910-007-9295-x>
- Thiamová G., Paldus J.: Independent particle model of spontaneous symmetry breaking in planar π-electron systems. Eur. Phys. J. D 2008, 46, 453. <https://doi.org/10.1140/epjd/e2008-00004-8>