The use of state-average MCSCF energy functionals in molecular calculations can give rise to specific bistabilities of solutions and therefore to discontinuities of computed potential surfaces. We present a model analysis of this phenomenon and consider a numerical example concerning ab initio CASSC
β¦ LIBER β¦
Evidence of Potential Averaging over the Finite Surface of a Bioelectric Surface Electrode
β Scribed by J. P. van Dijk; M. M. Lowery; B. G. Lapatki; D. F. Stegeman
- Publisher
- Springer
- Year
- 2009
- Tongue
- English
- Weight
- 708 KB
- Volume
- 37
- Category
- Article
- ISSN
- 0090-6964
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