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- W3058369211 endingPage "9993" @default.
- W3058369211 startingPage "9951" @default.
- W3058369211 abstract "Real-time electronic structure methods provide an unprecedented view of electron dynamics and ultrafast spectroscopy on the atto- and femtosecond time scale with vast potential to yield new insights into the electronic behavior of molecules and materials. In this Review, we discuss the fundamental theory underlying various real-time electronic structure methods as well as advantages and disadvantages of each. We give an overview of the numerical techniques that are widely used for real-time propagation of the quantum electron dynamics with an emphasis on Gaussian basis set methods. We also showcase many of the chemical applications and scientific advances made by using real-time electronic structure calculations and provide an outlook of possible new directions." @default.
- W3058369211 created "2020-08-24" @default.
- W3058369211 creator A5009969515 @default.
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- W3058369211 creator A5043778112 @default.
- W3058369211 creator A5046027141 @default.
- W3058369211 creator A5059776754 @default.
- W3058369211 date "2020-08-19" @default.
- W3058369211 modified "2023-10-16" @default.
- W3058369211 title "Real-Time Time-Dependent Electronic Structure Theory" @default.
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