𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A new program for the calculation of mass spectrum isotope peaks

✍ Scribed by Mattson, Bruce; Carberry, Edward

Book ID
127378356
Publisher
American Chemical Society
Year
1973
Tongue
English
Weight
286 KB
Volume
50
Category
Article
ISSN
0021-9584

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

A new algorithm to handle finite nuclear
A new algorithm to handle finite nuclear mass effects in electronic calculations: The ISOTOPE program
✍ Cristina P. GonΓ§alves; JosΓ© R. Mohallem πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 76 KB

## Abstract We report the development of a simple algorithm to modify quantum chemistry codes based on the LCAO procedure, to account for the isotope problem in electronic structure calculations. No extra computations are required compared to standard Born–Oppenheimer calculations. An upgrade of th