Article ID Journal Published Year Pages File Type
5390835 Chemical Physics Letters 2008 4 Pages PDF
Abstract
We show that an effect, which can be seen as the time-dependent version of the state averaging known from standard quantum chemistry, can modify the electronic structure as derived from a quantum dynamical calculation.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Origin of electronic structure and time-dependent state averaging in the multi-configuration time-dependent Hartree-Fock approach to electron dynamics
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