Hjalmars in Stockholm über die "zero differential overlap"-Näherung, die in der damals dominierenden semi-empirischen Quantenchemie eine wichtige Rolle spielte. Er war als Postdoktorand ein Jahr in der Gruppe von Enrico Clementi am IBM Research Institute in San Jose (USA), wo er in die relativ neue
Organic spectroscopy under Björn O. Roos
✍ Scribed by Luis Serrano-Andrés
- Publisher
- John Wiley and Sons
- Year
- 2011
- Tongue
- English
- Weight
- 88 KB
- Volume
- 111
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
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graduated in 1968 as a student of Inga Fischer-Hjalmars in Stockholm on the "zero differential overlap" approximation, which played a key role in the then dominating semi-empirical quantum chemistry. He spent a year as a postdoc in the group of Enrico Clementi at the IBM Research Institute in San Jo
## Abstract The introduction, impact, and development of the direct configuration interaction (CI) approach are reviewed. The removal of the limitation on the size of CI calculation by eliminating the need to store the Hamiltonian matrix and the streamlining of the calculation of the eigenvector up