Questions tagged [nonorthogonal-ci]

For questions related to the non-orthogonal configuration interaction (NOCI) method in electronic structure theory. NOCI is a configuration interaction method where the basis in which one diagonalizes the Hamiltonian can be any Slater determinant, each of which may be non-orthogonal with the rest of the basis.

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In which situations/problems, does one need to employ the nonorthogonal configuration interaction method?

Nonorthogonal configuration interaction is known to be a computationally inefficient approach. Recently, there has been a number of developments that have been done to improve the efficiency of ...
Meilani Wibowo's user avatar
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Are there any programs that can do non-orthogonal CI?

Could you list any programs that can do non-orthogonal CI please?
Meilani Wibowo's user avatar