Category Interdisciplinary Research
Event Duration 2022-02-11 - 2022-02-25
Conference Name Workshop on the treatment of static correlation with spin-flip methods
Content

Despite of the huge progresses in computational methodologies and application with electronic structure calculation, available tools for excited states, especially for reasonably large systems, is still quite limited.  Here we invite Prof. David Casanova to deliver a series of tutorial lectures for low-cost excited state methods that can treat static correlations.

A) Spin-flip time-dependent density functional
(SF-TDDFT)
        a.1) Introduction to linear response TDDFT
        a.2) Failures of TDDFT
        a.3) The SF-TDDFT ansatz
        a.4) Non-colinear SF-TDDFT
        a.5) Limitations of SF-TDDFT

B) The RASCI method in a nutshell
        b.1) Motivation, fundamentals and properties
        b.2) Dynamic correlation corrections
        b.3) State characterization tools
        b.4) Spin-orbit coupling with RASCI wave functions
        b.5) Examples:
                (i) Strongly correlated systems
                (ii) Molecular photophysics
Sign Up Duration 2022-01-12 - 2022-02-25
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