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Collect. Czech. Chem. Commun. 1981, 46, 1365-1369
https://doi.org/10.1135/cccc19811365

Study of potential curves by UHF type methods. Potential curve of F2 molecule

Viliam Klimo and Jozef Tiňo

Polymer Institute, Slovak Academy of Sciences, 809 34 Bratislava

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  • Mori-Sánchez Paula, Cohen Aron J.: The derivative discontinuity of the exchange–correlation functional. Phys. Chem. Chem. Phys. 2014, 16, 14378. <https://doi.org/10.1039/C4CP01170H>
  • Mášik Jozef, Hubač Ivan, Mach Pavel: Applicability of quasi‐degenerate many‐body perturbation theory to the ground state of the F2 molecule. Int J of Quantum Chemistry 1995, 53, 297. <https://doi.org/10.1002/qua.560530306>
  • Hubač Ivan, Svrček Michal, Balková Anna: Quasidegenerate many-body perturbation theory with self-consistently adapted core reference state (SCA QD MBPT). I. Theoretical formulation and its application to the potential energy curve of the ground state of Li2. The Journal of Chemical Physics 1986, 84, 3260. <https://doi.org/10.1063/1.450256>
  • Mach P., Kysel O.: Comparison between 6‐31 + bond functions and 6‐31 G* basis sets in UMP calculations of dissociation energies of the first row element compounds. I. J Comput Chem 1985, 6, 312. <https://doi.org/10.1002/jcc.540060408>
  • Klimo Villiam, Tiňo Josef: Study of potential curves by UHF‐type methods. VI. Spin‐extended Hartree–Fock method. Int J of Quantum Chemistry 1984, 25, 733. <https://doi.org/10.1002/qua.560250412>
  • Klimo V., Tiňo J.: Study of potential curves by UHF-type methods. Molecular Physics 1982, 46, 541. <https://doi.org/10.1080/00268978200101371>