Gaussian basis sets for use in correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg

Gaussian basis sets for use in correlate

Gaussian basis sets for use in correlated molecular calculations. VIII. Standard and augmented sextuple zeta correlation consistent basis sets for aluminum through argon

✍ Tanja Van Mourik; Thom H. Dunning Jr. 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 399 KB

Standard and augmented correlation consistent sextuple zeta cc-pV6Z . and aug-cc-pV6Z basis sets have been determined for the second-row atoms aluminum through argon. Using these sets, dissociation energies and spectroscopic constants for the ground states of HCl, PN, and P have been calculated usi