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Ab initio spin-flip configuration interaction (SF-CI) methods with the finite-field (FF) scheme are applied to the calculation of static second hyperpolarizabilities (γ) of several singlet diradical ...

The particle filter (PF) was introduced in 1993 as a numerical approximation to the nonlinear Bayesian filtering problem, and there is today a rather mature theory as well as a number of successful ...

Strongly correlated systems, characterized by significant multiconfigurational character, pose a persistent challenge in quantum chemistry. While molecular orbital (MO)-based multiconfigurational self ...

Full podcast episodes: <a href=" Support: / pmsutter Follow: / paulmattsutter and / paulmattsutter How did String Theory get started? What has made the idea so popular over the decades? Can we ever ...

This tutorial provides an overview of the basic theory of hidden Markov models (HMMs) as originated by L.E. Baum and T. Petrie (1966) and gives practical details on methods of implementation of the ...