𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A quasi-Newton algorithm for first-order saddle-point location

✍ Scribed by P. Culot; G. Dive; V. H. Nguyen; J. M. Ghuysen


Publisher
Springer
Year
1992
Tongue
English
Weight
814 KB
Volume
82
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


A reduced-restricted-quasi-Newton-Raphso
✍ Anglada, Josep Maria; Bofill, Josep Maria πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 193 KB πŸ‘ 1 views

We present a method for the location and optimization of an intersection energy point between two potential energy surfaces. The procedure directly optimizes the excited state energy using a quasi-Newton᎐Raphson method coupled with a restricted step algorithm. A linear transformation is also used fo