Testing the arbitrariness and limits of a pseudopotential technique through calculations on the series of diatoms HF, AlH, HCl, AlF, AlCl, F2, Cl2

This publication has 15 references indexed in Scilit:

• Theoretical Chemistry
  Published by Royal Society of Chemistry (RSC) ,1978
• Theoretical calculation of the valence excited states of the AlH molecule
  The Journal of Chemical Physics, 1977
• Uniform quality Gaussian basis sets
  The Journal of Chemical Physics, 1977
• Non-empirical pseudopotentials for molecular calculations
  Molecular Physics, 1977
• Non-empirical pseudopotentials for molecular calculations
  Molecular Physics, 1977
• Evaluation of molecular integrals over Gaussian basis functions
  The Journal of Chemical Physics, 1976
• PNO–CI and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first-row and second-row diatomic hydrides
  The Journal of Chemical Physics, 1975
• A theoretical method to determine atomic pseudopotentials for electronic structure calculations of molecules and solids
  Theoretical Chemistry Accounts, 1975
• Roothaan-Hartree-Fock atomic wavefunctions
  Atomic Data and Nuclear Data Tables, 1974
• Polarization functions for first and second row atoms in Gaussian type MO-SCF calculations
  Theoretical Chemistry Accounts, 1970