## Abstract A challenging task in natural orbital functional theory is to find an efficient procedure for doing orbital optimization. Procedures based on diagonalization techniques have confirmed its practical value since the resulting orbitals are automatically orthogonal. In this work, a new proc
Diradicals and Diradicaloids in Natural Orbital Functional Theory
✍ Scribed by Prof. Dr. Xabier Lopez; Dr. Fernando Ruipérez; Prof. Dr. Mario Piris; Dr. Jon M. Matxain; Prof. Dr. Jesus M. Ugalde
- Publisher
- John Wiley and Sons
- Year
- 2011
- Tongue
- English
- Weight
- 253 KB
- Volume
- 12
- Category
- Article
- ISSN
- 1439-4235
No coin nor oath required. For personal study only.
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