𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Molecular properties from pseudo-wavefunctions

✍ Scribed by W.Robert Daasch; Larry E. Mcmurchie; Ernest R. Davidson

Book ID
103019656
Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
311 KB
Volume
84
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Approximate molecular electrostatic pote
Approximate molecular electrostatic potentials from semiempirical wavefunctions
✍ Krack, Matthias; KοΏ½ster, Andreas M.; Jug, Karl πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 604 KB

Approximate molecular electrostatic potentials MESPs are ## Ε½ . calculated with the asymptotic density model ADM on the basis of semiempirical wavefunctions generated by the SINDO1 method. The approximate MESP is adjusted to obtain good agreement with the exact MESP from 6-31G\* ab initio calcula

Two-electron properties for the berylliu
Two-electron properties for the beryllium atom from explicitly correlated wavefunctions
✍ F.J GΓ‘lvez; E Buendı́a; A Sarsa πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 200 KB

Two-body properties of the ground state of beryllium atom in position and momentum spaces are obtained starting from a compact and accurate explicitly correlated wavefunction. The wavefunction is factorized into a correlation factor, depending on the interelectronic distance, and a multi configurati