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{ "item_title" : "Density-Functional Methods for Excited States", "item_author" : [" Nicolas Ferré", "Michael Filatov", "Miquel Huix-Rotllant "], "item_description" : "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.", "item_img_path" : "https://covers3.booksamillion.com/covers/bam/3/31/938/724/3319387243_b.jpg", "price_data" : { "retail_price" : "329.99", "online_price" : "329.99", "our_price" : "329.99", "club_price" : "329.99", "savings_pct" : "0", "savings_amt" : "0.00", "club_savings_pct" : "0", "club_savings_amt" : "0.00", "discount_pct" : "10", "store_price" : "" } }
Density-Functional Methods for Excited States|Nicolas Ferré

Density-Functional Methods for Excited States

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Overview

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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Details

  • ISBN-13: 9783319387246
  • ISBN-10: 3319387243
  • Publisher: Springer
  • Publish Date: August 2016
  • Dimensions: 9.21 x 6.14 x 1 inches
  • Shipping Weight: 1.52 pounds
  • Page Count: 481

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