Exciton size and binding energy limitations in one-dimensional organic materials

A high efficiency solution processed polymer inverted triple-junction solar cell exhibiting a power conversion efficiency of 11.83%

(2015) Abd. Rashid bin Mohd Yusoff et al.   Energy & Environmental Science

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

Dielectric function of a poly(benzimidazobenzophenanthroline) ladder polymer

(2015) S. Kraner et al.   PHYSICAL REVIEW B

Lowest Singlet Exciton in Pentacene: Modern Calculations versus Classic Experiments

(2014) Barbara Pac et al.   CHEMPHYSCHEM

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

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

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

(2014) Yihan Shao et al.   MOLECULAR PHYSICS

Exciton Management in Organic Photovoltaic Multidonor Energy Cascades

(2014) Olga L. Griffith et al.   NANO LETTERS

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

8.4% efficient fullerene-free organic solar cells exploiting long-range exciton energy transfer

(2014) Kjell Cnops et al.   Nature Communications

Frenkel versus charge-transfer exciton dispersion in molecular crystals

(2013) Pierluigi Cudazzo et al.   PHYSICAL REVIEW B

A polymer tandem solar cell with 10.6% power conversion efficiency

(2013) Jingbi You et al.   Nature Communications

Quantification of Quantum Efficiency and Energy Losses in Low Bandgap Polymer:Fullerene Solar Cells with High Open-Circuit Voltage

(2012) Koen Vandewal et al.   ADVANCED FUNCTIONAL MATERIALS

Harnessing the meta-generalized gradient approximation for time-dependent density functional theory

(2012) Jefferson E. Bates et al.   JOURNAL OF CHEMICAL PHYSICS

Analysis of Excitonic and Charge Transfer Interactions from Quantum Chemical Calculations

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

Quasiparticle and optical spectroscopy of the organic semiconductors pentacene and PTCDA from first principles

(2012) Sahar Sharifzadeh et al.   PHYSICAL REVIEW B

Phosphorescence Energies of Organic Light-Emitting Diodes from Spin-Flip Tamm-Dancoff Approximation Time-Dependent Density Functional Theory

(2011) Michael Kühn et al.   CHEMPHYSCHEM

The nature of singlet excitons in oligoacene molecular crystals

(2011) H. Yamagata et al.   JOURNAL OF CHEMICAL PHYSICS

Improved Prediction of Properties of π-Conjugated Oligomers with Range-Separated Hybrid Density Functionals

(2011) Ulrike Salzner et al.   Journal of Chemical Theory and Computation

Excitons in organic semiconductors

(2011) Ahmed Dkhissi   SYNTHETIC METALS

Physical theory of excitons in conducting polymers

(2010) Serguei Brazovskii et al.   CHEMICAL SOCIETY REVIEWS

Property-optimized Gaussian basis sets for molecular response calculations

(2010) Dmitrij Rappoport et al.   JOURNAL OF CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Polymer-Fullerene Bulk-Heterojunction Solar Cells

(2009) Gilles Dennler et al.   ADVANCED MATERIALS

Electron invariants and excited state structural analysis for electronic transitions within CIS, RPA, and TDDFT models

(2009) A. V. Luzanov et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Systematic optimization of long-range corrected hybrid density functionals

(2008) Jeng-Da Chai et al.   JOURNAL OF CHEMICAL PHYSICS