𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A universal open-source Electronic Laboratory Notebook

✍ Scribed by Voegele, C.; Bouchereau, B.; Robinot, N.; McKay, J.; Damiecki, P.; Alteyrac, L.


Book ID
121713382
Publisher
Oxford University Press
Year
2013
Tongue
English
Weight
124 KB
Volume
29
Category
Article
ISSN
1367-4803

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πŸ“œ SIMILAR VOLUMES


PSI3: An open-source Ab Initio electroni
✍ T. Daniel Crawford; C. David Sherrill; Edward F. Valeev; Justin T. Fermann; Roll πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 143 KB

## Abstract PSI3 is a program system and development platform for __ab initio__ molecular electronic structure computations. The package includes mature programming interfaces for parsing user input, accessing commonly used data such as basis‐set information or molecular orbital coefficients, and r