Christina Mariam Mathew

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Questions related from Christina Mariam Mathew

How to calculate Mulliken odd electron population?

Dear all Can you please help me calculate Mulliken's odd electron population, as mentioned in the attached document?

16 June 2024 7,024 0 View

Can we relate Mulliken spin density to the odd electron population on atomic sites in a molecule?

Dear all How can we calculate the odd electron population on atomic sites in molecules using the UHF method? Can we relate Mulliken spin density to the odd electron population on atomic sites in a...

12 June 2024 4,044 1 View