<p>Until recently quantum chemical ab initio calculations were reΒ stricted to atoms and very small molecules. As late as in 1960 Allen l and Karo stated : "Almost all of our ab initio experience derives from diatomic LCAO calculations β’β’β’ N and we have found in the literaΒ ture "approximately eight
Ab Initio Calculations: Methods and Applications in Chemistry
β Scribed by Petr Carsky, Miroslav Urban
- Publisher
- Springer
- Year
- 1980
- Tongue
- English
- Leaves
- 253
- Series
- Lecture Notes in Chemistry
- Edition
- 1
- Category
- Library
No coin nor oath required. For personal study only.
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<p>On the occasion of the fourth International Conference on Industrial and Applied Mathematics!, we decided to organize a sequence of 4 minisymposia devoted to the mathematical aspects and the numerical aspects of Quantum Chemistry. Our goal was to bring together scientists from different communiti