𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Analytic evaluation of the gradient and Hessian of molecular potential energy functions

✍ Scribed by Carlile Lavor


Book ID
108240430
Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
213 KB
Volume
227
Category
Article
ISSN
0167-2789

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


On the efficient evaluation of analytic
✍ J.E. Rice; R.D. Amos πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 469 KB

in Cinal form 14 Ocloher 19S5 Melhods for the efficicn~ evaluakm of anal~ric encr&v gradicnu wilh corrclawd wavcrunclions arc discusssd. II is colxludcd rhar no gmdicnt. and in particular the Cl gradicn1 with MC SCF orhiuals. requires rhc storage