Browsing by Author "Robb, Michael A."
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A new efficient approach to the direct restricted active space self-consistent field method

The curvature of the conical intersection seam: an approximate second-order analysis

Automatic generation of active coordinates for quantum dynamics calculations: application to the dynamics of benzene photochemistry

New algorithms for optimizing and linking conical intersection points

A global picture of the S1/S0 conical intersection seam of benzene

A valence bond description of the prefulvene extended conical intersection seam of benzene

Conical intersection optimization based on a double Newton-Raphson algorithm using composed steps

Polarizable QM/MM multiconfiguration self-consistent field approach with state-specific corrections: Environment effects on cytosine absorption spectrum