ASA FUNCTIONS FROM A 3-21G BASIS SET
PERIODIC TABLE
Click on each atom to see the fitted atomic basis set.
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Text files are composed by fitted basis set information: quadratic error integral function, number of fitted functions, ASA exponents and coefficients. Additionally, each atomic file contains the main Hartree-Fock results computed with ATOMIC 90 program.
Tables for N=3, 4 and 5 1s GTO fitted, minimizing Quadratic Error Integral Function, with respect an ab initio 3-21G basis set for Li to Kr. H and He atoms are described separately using one and five functions.