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  • Open Daily: 10am - 10pm
    Alley-side Pickup: 10am - 7pm

    3038 Hennepin Ave Minneapolis, MN
    612-822-4611

Open Daily: 10am - 10pm | Alley-side Pickup: 10am - 7pm
3038 Hennepin Ave Minneapolis, MN
612-822-4611
Density-Functional Methods for Excited States

Density-Functional Methods for Excited States

Ferré, Nicolas
Filatov, Michael
Huix-Rotllant, Miquel

Paperback

Series: Topics in Current Chemistry, Book 368

ChemistryGeneral Science

ISBN10: 3319387243
ISBN13: 9783319387246
Publisher: Springer Nature
Published: Aug 23 2016
Pages: 481
Weight: 1.52
Height: 1.00 Width: 6.14 Depth: 9.21
Language: English
Current status and recent developments in linear response TD-DFT.- Density matrix functional theory (DMFT) and linear response time-dependent DMFT (TD-DMFT) for excited states.- Ensemble DFT for strongly correlated molecules and excited states.- Dynamical processes in open quantum systems from a TD-DFT perspective.- Computational Molecular Spectroscopy with TD-DFT.- Non-linear response and multi-dimensional spectroscopy using time-dependent DFT.- Absorption spectroscopy, emissive properties and ultra-fast intersystem crossing processes in transition metal complexes: TD-DFT and Spin-Orbit Coupling.- Excitons and extended systems in TD-DFT.- Conical intersections with DFT methods.- Multi-scale modeling of photochemistry with TD-DFT.- Semi-classical surface-hopping dynamics using potential energy surfaces from time-dependent DFT calculations.

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