نتایج جستجو برای: hybrid organic

تعداد نتایج: 387024  

Journal: :Physics and High Technology 2010

Journal: :IEEE Journal of Selected Topics in Quantum Electronics 2013

Journal: :Physical chemistry chemical physics : PCCP 2009
Lars Goerigk Jonas Moellmann Stefan Grimme

Time-dependent double-hybrid density functional methods are evaluated for the calculation of vertical singlet-singlet valence excitation energies of a wide variety of organic molecules. Beside the already published TD-B2-PLYP method, an analogous approach based on the recently published ground state B2GP-PLYP functional is presented for the first time. Double-hybrid functionals contain a hybrid...

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