𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Simple basis sets for molecular wavefunctions containing atoms from Z = 2 to Z = 54

✍ Scribed by Roetti, Carla


Book ID
121191493
Publisher
American Institute of Physics
Year
1974
Tongue
English
Weight
633 KB
Volume
60
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


EXPONENTIAL-TYPE BASIS FUNCTIONS: SINGLE
✍ Ignacio Ema; José M.Garcı́a De La Vega; Beatriz Miguel; Johannes Dotterweich; Ho 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 149 KB

Roothaan-Hartree-Fock (RHF) calculations have been carried out for the ground states of the atoms from helium to krypton using certain exponential-type functions, the Ꮾ functions. We report a compilation of single-and double-zeta (SZ and DZ) wave functions. A comparison with the conventional SZ and