Ab initio compact group model potentials
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Cruz Hern๏ฟฝndez, Norge; Sanz, Javier Fdez.
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Article
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1999
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John Wiley and Sons
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English
โ 266 KB
๐ 2 views
A method for the determination of ab initio group model potentials within the HartreeแFock framework is reported. Following the theory of separability of many electron systems, a new way to incorporate the effect of complete chemical entities by means of polycenter compact model potentials is presen