Calculation of periodic molecular system
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R. Lochmann; Th. Weller
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Article
📅
1982
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John Wiley and Sons
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English
⚖ 263 KB
## Abstract A method within the PCILO framework for the study of periodic molecular systems involving impurities is described regarding a one‐dimensional chain. The calculation of the whole system is reduced to the calculation of subsystem pairs only. By use of the first‐neighbor approximation only