𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Computation of derivatives of the energy in the hartree-fock-roothaan approximation

✍ Scribed by V. V. Rossikhin; V. P. Morozov


Book ID
112361978
Publisher
Springer
Year
1968
Tongue
English
Weight
287 KB
Volume
2
Category
Article
ISSN
0040-5760

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Vibronic instability of molecular config
✍ L. F. Chibotaru; F. Cimpoesu πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 187 KB

The traditional description of pseudo-Jahn᎐Teller molecular configuration instability based on Bader's formula for the curvature of the adiabatic potential is reconsidered in order to make it consistent with straightforward calculations of the ground-state energy surface within Hartree᎐Fock᎐Roothaan