Diabatic-At-Construction Method for Diabatic and Adiabatic Ground and Excited States Based on Multistate Density Functional Theory

Eitemau Tebyg

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• Beyond Kohn–Sham Approximation: Hybrid Multistate Wave Function and Density Functional Theory
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• Source code, input data, and sample output concerning the application of multistate density functional theory to the singdoublet and tripdoublet states of the ethylene cation
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  Cyhoeddwyd: (2019)