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Collect. Czech. Chem. Commun. 1973, 38, 2043-2053
https://doi.org/10.1135/cccc19732043

Ab initio SCF-MO-LCAO calculations with a molecule-calibrated contracted Gaussian basis. II. Optimization of exponents and contraction coefficients

M. Urban

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  • Ermakov A. I., Belousov V. V.: Relaxation of STO-3G and 6-31G* basis set functions in the series of LiF isoelectronic molecules of second row elements. J Struct Chem 2007, 48, 6. <https://doi.org/10.1007/s10947-007-0002-3>
  • Ermakov A. I., Merkulov A. E., Svechnikova A. A., Belousov V. V.: Basis Set Orbital Relaxation in Atomic and Molecular Hydrogen Systems. J Struct Chem 2004, 45, 923. <https://doi.org/10.1007/s10947-005-0080-z>
  • Noga Jozef, Valiron Pierre: Towards Universal R12 Consistent Basis Sets. Collect. Czech. Chem. Commun. 2003, 68, 340. <https://doi.org/10.1135/cccc20030340>
  • URBAN M.: ChemInform Abstract: AB INITIO SCF‐MO‐LCAO CALCULATIONS WITH A MOLECULE‐CALIBRATED CONTRACTED GAUSSIAN BASIS PART 2, OPTIMIZATION OF EXPONENTS AND CONTRACTION COEFFICIENTS. Chemischer Informationsdienst 1973, 4. <https://doi.org/10.1002/chin.197338085>