𝔖 Bobbio Scriptorium
✦   LIBER   ✦

MAP: A Pascal macro preprocessor for large program development

✍ Scribed by Douglas Comer

Book ID
112209603
Publisher
John Wiley and Sons
Year
1979
Tongue
English
Weight
495 KB
Volume
9
Category
Article
ISSN
0038-0644

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Development of a program for MCSCF calcu
Development of a program for MCSCF calculations with large basis sets
✍ Shigeyoshi Yamamoto; Umpei Nagashima; Tomoo Aoyama; Hiroshi Kashiwagi πŸ“‚ Article πŸ“… 1988 πŸ› John Wiley and Sons 🌐 English βš– 812 KB

A new program named JASON2 for ab initio MCSCF calculations with large basis sets has been developed. In this program, the density-formulated super-CI CASSCF method proposed by Roos et al. was adopted in order to overcome difficult problems caused by large basis sets. The sparsity of integrals and v