How to calculate spin multiplicity in siesta ?

02 October 2019 1 5K Report

Dear All....

I want to calculate the spin multiplicity of the hybrid carbon nano structure. My complex contains 220 carbon atoms and 36 hydrogen atoms. please suggest me how can i calculate the spin multiplicity of my complex in siesta ?

Mohamed Kamal Ahmed Ali

This book will help you, ''Quantum Chemistry Atoms Molecules''

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