Well-tempered GTF basis sets for the atoms K through χe

Accurate adapted Gaussian basis sets for

Accurate adapted Gaussian basis sets for the atoms from H through Xe

✍ F. E. Jorge; E. P. Muniz 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 133 KB

We have applied the generator coordinate Hartree᎐Fock method to generate adapted Gaussian basis sets for the atoms from H through Xe. The Griffin᎐Hill᎐Wheeler᎐Hartree᎐Fock equations are integrated numerically generating accurate basis sets for these atoms. Our atomic wave functions are an improvemen