ASA FUNCTIONS FROM A HUZINAGA BASIS SET

PERIODIC TABLE

Click on each atom to see the fitted atomic basis set.

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.

*Red symbols means that more than an ASA approximation is given.

Notation for the contracted gaussian primitive basis set

Atomic symbol	Huzinaga notation^a
H, He	3
Li, Be	33
B, C, N, O, F, Ne	33/3
Na, Mg	432/3
Al, Si, P, S, Cl, Ar	432/42
K, Ca	4322/42
Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn	4322/42/3
Ga, Ge, As, Se, Br, Kr	4322/422/3
Rb, Sr	43222/422/3
Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag, Cd	43222/422/33
In, Sn, Sb, Te, I, Xe	43222/4222/42
Cs, Ba	432222/4222/42
La	432222/4222/42/3
Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb	432222/4222/42/4
Lu, Hf, Ta, W, Re, Os, Ir, Pt, Au, Hg	432222/4222/423/3
Tl, Pb, Bi, Po, At, Rn	432222/42222/422/3

^{aThe expansion pattern: (K_s1, K_s2, ... / K_p1, K_p2, ... / K_d1, K_d2, ... / K_f1, ...) is used as the notation to specify the number of terms in the expansion of the atomic basis set.}