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- W2890885690 abstract "Abstract The theoretical treatment of molecules in electronically excited states is much more complicated than in the ground state (GS) and remains a challenge. In contrast to the GS, electronically excited states can hardly be treated by a single determinant or configuration state function, not even near equilibrium geometry. This calls for multireference methods, or, alternatively, for time-dependent response methods, such as time-dependent density functional theory, or time-dependent coupled cluster response theory. In this contribution, we provide an overview on the latter techniques and illustrate on several examples how these methods can be used to theoretically investigate photoreactions." @default.
- W2890885690 created "2018-09-27" @default.
- W2890885690 creator A5032247346 @default.
- W2890885690 creator A5046466492 @default.
- W2890885690 creator A5047843617 @default.
- W2890885690 creator A5050742136 @default.
- W2890885690 creator A5071087761 @default.
- W2890885690 creator A5075406772 @default.
- W2890885690 date "2018-09-14" @default.
- W2890885690 modified "2023-09-26" @default.
- W2890885690 title "Description of excited states in photochemistry with theoretical methods" @default.
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