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