2021•Advances in quantum chemistryOpen access

Spin-adapted selected configuration interaction in a determinant basis

Vijay Gopal Chilkuri, Thomas Applencourt, Kevin Gasperich, Pierre‐François Loos, Anthony Scemama

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Key concepts: Slater determinant, Wave function, Configuration interaction, Eigenfunction, Hamiltonian (control theory), Full configuration interaction, Excited state, Spin (aerodynamics)

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Spin-adapted selected configuration interaction in a determinant basis — Research Paper | ScholarLens