Excitons in poly(para phenylene vinylene): a quantum-chemical perspective based on high-level ab initio calculations

Quantifying charge resonance and multiexciton character in coupled chromophores by charge and spin cumulant analysis

(2015) Anatoliy V. Luzanov et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: Exciton analysis in time-dependent density functional theory: How functionals shape excited-state characters

(2015) Stefanie A. Mewes et al.   JOURNAL OF CHEMICAL PHYSICS

Statistical analysis of electronic excitation processes: Spatial location, compactness, charge transfer, and electron-hole correlation

(2015) Felix Plasser et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Experimental Benchmark Data and Systematic Evaluation of Two a Posteriori, Polarizable-Continuum Corrections for Vertical Excitation Energies in Solution

(2015) Jan-Michael Mewes et al.   JOURNAL OF PHYSICAL CHEMISTRY A

25th Anniversary Article: Charge Transport and Recombination in Polymer Light-Emitting Diodes

(2014) Martijn Kuik et al.   ADVANCED MATERIALS

An analytic mapping of oligomer potential energy surfaces to an effective Frenkel model

(2014) Robert Binder et al.   JOURNAL OF CHEMICAL PHYSICS

The third-order algebraic diagrammatic construction method (ADC(3)) for the polarization propagator for closed-shell molecules: Efficient implementation and benchmarking

(2014) Philipp H. P. Harbach et al.   JOURNAL OF CHEMICAL PHYSICS

New tools for the systematic analysis and visualization of electronic excitations. I. Formalism

(2014) Felix Plasser et al.   JOURNAL OF CHEMICAL PHYSICS

New tools for the systematic analysis and visualization of electronic excitations. II. Applications

(2014) Felix Plasser et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic Excited States in Amorphous MEH-PPV Polymers from Large-Scale First Principles Calculations

(2014) Haibo Ma et al.   Journal of Chemical Theory and Computation

Absorption and Fluorescence Spectra of Poly(p-phenylenevinylene) (PPV) Oligomers: An ab Initio Simulation

(2014) Thiago M. Cardozo et al.   JOURNAL OF PHYSICAL CHEMISTRY A

What We Can Learn from the Norms of One-Particle Density Matrices, and What We Can’t: Some Results for Interstate Properties in Model Singlet Fission Systems

(2014) Spiridoula Matsika et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Exciton analysis of many-body wave functions: Bridging the gap between the quasiparticle and molecular orbital pictures

(2014) Stefanie A. Bäppler et al.   PHYSICAL REVIEW A

The algebraic diagrammatic construction scheme for the polarization propagator for the calculation of excited states

(2014) Andreas Dreuw et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Coherent exciton transport driven by torsional dynamics: a quantum dynamical study of phenylene-vinylene type conjugated systems

(2013) R. Binder et al.   FARADAY DISCUSSIONS

Electronically Excited States in Poly(p-phenylenevinylene): Vertical Excitations and Torsional Potentials from High-Level Ab Initio Calculations

(2013) Aditya N. Panda et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Excitons in Conjugated Polymers: A Tale of Two Particles

(2013) William Barford   JOURNAL OF PHYSICAL CHEMISTRY A

Characterising a configuration interaction excited state using natural transition geminals

(2013) J.P. Coe et al.   MOLECULAR PHYSICS

Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator

(2013) Michael Wormit et al.   MOLECULAR PHYSICS

Analysis of Excitonic and Charge Transfer Interactions from Quantum Chemical Calculations

(2012) Felix Plasser et al.   Journal of Chemical Theory and Computation

Nonadiabatic Excited-State Molecular Dynamics Modeling of Photoinduced Dynamics in Conjugated Molecules

(2011) Tammie Nelson et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Charge Photogeneration in Organic Solar Cells

(2010) Tracey M. Clarke et al.   CHEMICAL REVIEWS

Singlet Fission

(2010) Millicent B. Smith et al.   CHEMICAL REVIEWS

Physical theory of excitons in conducting polymers

(2010) Serguei Brazovskii et al.   CHEMICAL SOCIETY REVIEWS

TORSIONAL POTENTIALS AND FULL-DIMENSIONAL SIMULATION OF ELECTRONIC ABSORPTION SPECTRA OF para-PHENYLENEVINYLENE OLIGOMERS USING SEMIEMPIRICAL HAMILTONIANS

(2010) VLADIMÍR LUKEŠ et al.   JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY

Coherent Multidimensional Optical Spectroscopy of Excitons in Molecular Aggregates; Quasiparticle versus Supermolecule Perspectives

(2009) Darius Abramavicius et al.   CHEMICAL REVIEWS

Nature of the lowest excited states of neutral polyenyl radicals and polyene radical cations

(2009) Jan Hendrik Starcke et al.   JOURNAL OF CHEMICAL PHYSICS

Symmetry-adapted density matrix renormalization group calculations of the primary excited states of poly(para-phenylene vinylene)

(2009) Robert J. Bursill et al.   JOURNAL OF CHEMICAL PHYSICS

Modeling the Dynamics of Chromophores in Conjugated Polymers: The Case of Poly(2-methoxy-5-(2′-ethylhexyl)oxy 1,4-phenylene vinylene) (MEH-PPV)

(2009) Caroline De Leener et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Coherent Intrachain Energy Migration in a Conjugated Polymer at Room Temperature

(2009) E. Collini et al.   SCIENCE

Exciton scattering approach for branched conjugated molecules and complexes. I. Formalism

(2008) Chao Wu et al.   JOURNAL OF CHEMICAL PHYSICS

Understanding excitons in optically active polymers

(2007) Natasha Kirova   POLYMER INTERNATIONAL