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Atomic potentials from SCF data
Authors:Fabio Campadelli  Carlo Zauli
Institution:1. Istituto di Chimica Fisica ed Elettrochimica, Centro di Chimica Teorica del CNR, Università di Bologna, Italy
Abstract:The possibility is explored of representing atomic potentials, derived from SCF data, with function
$$V(R) = R^{ - 1} \mathop {\sum _i }\limits_1^\lambda n_i \{ exp ( - 2 \alpha _i R) (2 \alpha _i - {{V_i^0 } \mathord{\left/ {\vphantom {{V_i^0 } {n_i }}} \right. \kern-\nulldelimiterspace} {n_i }}) R + 1] - 1\}$$
Keywords:
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