Energetics and Couplings in Oligoacene-Based Singlet Fission: Efficient and Accurate Density Functional Theory Tells the Story

doi 10.15278/isms.2018.mh07

Full Text

Abstract

Available in

Date

June 18, 2018

Authors

Publisher

University of Illinois at Urbana-Champaign

Related search

Accurate Magnetic Couplings in Chromium-Based Molecular Rings From Broken-Symmetry Calculations Within Density Functional Theory

English

Structures and Energetics of Interfaces in Materials – Ab-Initio Local-Density-Functional Theory –

Microscopy and Microanalysis

Instrumentation

2002

English

Structures and Energetics of Silicon Nanotubes From Molecular Dynamics and Density Functional Theory

Physical Review B

2008

English

Probing the Subtleties of Atomic Distortions Through Accurate STEM Imaging and Density Functional Theory

Microscopy and Microanalysis

Instrumentation

2016

English

Is Density Functional Theory Accurate for Lytic Polysaccharide Monooxygenase Enzymes?

Dalton Transactions

Inorganic Chemistry

2020

English

Single Cell Tells the Developmental Story

Science Bulletin

Multidisciplinary

2016

English

Fission Fragment Charge and Mass Distributions inPu239(n,f)in the Adiabatic Nuclear Energy Density Functional Theory

English

Couplings Between Electronic Transitions in a Subsystem Formulation of Time-Dependent Density Functional Theory

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Benchmarks for Electronically Excited States: Time-Dependent Density Functional Theory and Density Functional Theory Based Multireference Configuration Interaction

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Amanote Research

Energetics and Couplings in Oligoacene-Based Singlet Fission: Efficient and Accurate Density Functional Theory Tells the Story

Full Text

Abstract

Date

Authors

Publisher

Related search

Accurate Magnetic Couplings in Chromium-Based Molecular Rings From Broken-Symmetry Calculations Within Density Functional Theory

Structures and Energetics of Interfaces in Materials – Ab-Initio Local-Density-Functional Theory –

Structures and Energetics of Silicon Nanotubes From Molecular Dynamics and Density Functional Theory

Probing the Subtleties of Atomic Distortions Through Accurate STEM Imaging and Density Functional Theory

Is Density Functional Theory Accurate for Lytic Polysaccharide Monooxygenase Enzymes?

Single Cell Tells the Developmental Story

Fission Fragment Charge and Mass Distributions inPu239(n,f)in the Adiabatic Nuclear Energy Density Functional Theory

Couplings Between Electronic Transitions in a Subsystem Formulation of Time-Dependent Density Functional Theory

Benchmarks for Electronically Excited States: Time-Dependent Density Functional Theory and Density Functional Theory Based Multireference Configuration Interaction