• A Mukhopadhyay

      Articles written in Journal of Chemical Sciences

    • A viable alternative to the unitary group approach in quantum chemistry

      A Mukhopadhyay

      More Details Abstract Fulltext PDF

      A certain element of danger of the unitary group approach and practice is pointed out. A viable alternative formalism is presented with an overview of the development, a summary of the achievements and a discussion on its prospects pertaining to the configuration interaction calculations, open-shell perturbation theory, propagator methods and variational theory. Special reference is given to the open-shell HF problem. Lastly, the possibility of handling atomic multiplet states is discussed.

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