Correlation effects in the optical spectra of porphyrin oligomer chains: Exciton confinement and length dependence

Unusually High-Performing Organic Field-Effect Transistors Based on π-Extended Semiconducting Porphyrins

(2012) Mai Ha Hoang et al.   ADVANCED MATERIALS

Homo- and Heteronuclear meso,meso-(E)-Ethene-1,2-diyl-Linked Diporphyrins: Preparation, X-ray Crystal Structure, Electronic Absorption and Emission Spectra and Density Functional Theory Calculations

(2012) Oliver Locos et al.   CHEMISTRY-A EUROPEAN JOURNAL

Interplay between intrachain and interchain interactions in semiconducting polymer assemblies: The HJ-aggregate model

(2012) H. Yamagata et al.   JOURNAL OF CHEMICAL PHYSICS

Excited States of Dicyanovinyl-Substituted Oligothiophenes from Many-Body Green’s Functions Theory

(2012) Björn Baumeier et al.   Journal of Chemical Theory and Computation

Excitation Gaps of Finite-Sized Systems from Optimally Tuned Range-Separated Hybrid Functionals

(2012) Leeor Kronik et al.   Journal of Chemical Theory and Computation

Unified description of ground and excited states of finite systems: The self-consistentGWapproach

(2012) F. Caruso et al.   PHYSICAL REVIEW B

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

(2012) Sahar Sharifzadeh et al.   PHYSICAL REVIEW B

Comparing modern density functionals for conjugated polymer band structures: Screened hybrid, Minnesota, and Rung 3.5 approximations

(2011) Benjamin G. Janesko   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

Electronic Properties of Vinylene-Linked Heterocyclic Conducting Polymers: Predictive Design and Rational Guidance from DFT Calculations

(2011) Bryan M. Wong et al.   Journal of Physical Chemistry C

First-principlesGWcalculations for fullerenes, porphyrins, phtalocyanine, and other molecules of interest for organic photovoltaic applications

(2011) X. Blase et al.   PHYSICAL REVIEW B

π-Conjugation

(2011) Begoña Milián-Medina et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

From Short Conjugated Oligomers to Conjugated Polymers. Lessons from Studies on Long Conjugated Oligomers

(2010) Sanjio S. Zade et al.   ACCOUNTS OF CHEMICAL RESEARCH

Excess Polarizability Reveals Exciton Localization/Delocalization Controlled by Linking Positions on Porphyrin Rings in Butadiyne-Bridged Porphyrin Dimers

(2010) Chunxing She et al.   JOURNAL OF PHYSICAL CHEMISTRY A

GW quasiparticle spectra from occupied states only

(2010) P. Umari et al.   PHYSICAL REVIEW B

yambo: An ab initio tool for excited state calculations

(2009) Andrea Marini et al.   COMPUTER PHYSICS COMMUNICATIONS

Ab initio electronic and optical spectra of free-base porphyrins: The role of electronic correlation

(2009) Maurizia Palummo et al.   JOURNAL OF CHEMICAL PHYSICS

Excitonic versus electronic couplings in molecular assemblies: The importance of non-nearest neighbor interactions

(2009) Johannes Gierschner et al.   JOURNAL OF CHEMICAL PHYSICS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Exciton-Plasmon States in Nanoscale Materials: Breakdown of the Tamm−Dancoff Approximation

(2009) Myrta Grüning et al.   NANO LETTERS

Organic light-emitting devices (OLEDs) and OLED-based chemical and biological sensors: an overview

(2008) Joseph Shinar et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Optical Saturation Driven by Exciton Confinement in Molecular Chains: A Time-Dependent Density-Functional Theory Approach

(2008) Daniele Varsano et al.   PHYSICAL REVIEW LETTERS