𝔖 Bobbio Scriptorium
✦   LIBER   ✦

AB INITIO calculations of the electronic properties of N-4 in KN3

✍ Scribed by GaryD. Bent; RalphH. Bartram; AngeloR. Rossi; PeterJ. Kemmey


Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
214 KB
Volume
29
Category
Article
ISSN
0038-1098

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Ab initio calculations of the electronic
✍ J. M. AndrΓ©; D. P. Vercauteren; V. P. Bodart; J. G. Fripiat πŸ“‚ Article πŸ“… 1984 πŸ› John Wiley and Sons 🌐 English βš– 950 KB

An ab initio self-consistent-field (scF) algorithm taking into account all the features of the one-dimensional translational periodicity and the helical symmetry is presented. This algorithm includes the long-range correction to the Coulomb potential and is designed to calculate the band structure o

Ab initio calculations of the properties
✍ M. FehΓ©r; P.A. Martin πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 428 KB

The potential energy curves, dipole, quadrupole, octopole and hexadecapole moment functions of the ground X 'Z+ state of NO+ have been calculated at Hartree-Fock, CASSCF, MR-CI and MP2 levels using a [ Ss6p3d] basis set In addition, dipole polansablhtles have also been calculated at the HF and MP2 l