Origins of Singlet Fission in Solid Pentacene from an ab initio Green’s Function Approach

Vibronic exciton theory of singlet fission. II. Two-dimensional spectroscopic detection of the correlated triplet pair state

(2017) Roel Tempelaar et al.   JOURNAL OF CHEMICAL PHYSICS

Vibronic exciton theory of singlet fission. I. Linear absorption and the anatomy of the correlated triplet pair state

(2017) Roel Tempelaar et al.   JOURNAL OF CHEMICAL PHYSICS

Gaussian-Based Coupled-Cluster Theory for the Ground-State and Band Structure of Solids

(2017) James McClain et al.   Journal of Chemical Theory and Computation

Excited-State Properties of Molecular Solids from First Principles

(2016) Leeor Kronik et al.   Annual Review of Physical Chemistry

Polymorphism influences singlet fission rates in tetracene thin films

(2016) Dylan H. Arias et al.   Chemical Science

Charge Transfer–Mediated Singlet Fission

(2015) N. Monahan et al.   Annual Review of Physical Chemistry

Theory of Singlet Fission in Polyenes, Acene Crystals, and Covalently Linked Acene Dimers

(2015) Karan Aryanpour et al.   Journal of Physical Chemistry C

Real-time observation of multiexcitonic states in ultrafast singlet fission using coherent 2D electronic spectroscopy

(2015) Artem A. Bakulin et al.   Nature Chemistry

Nonanalyticity, Valley Quantum Phases, and Lightlike Exciton Dispersion in Monolayer Transition Metal Dichalcogenides: Theory and First-Principles Calculations

(2015) Diana Y. Qiu et al.   PHYSICAL REVIEW LETTERS

Dynamics of the Excitonic Coupling in Organic Crystals

(2015) Juan Aragó et al.   PHYSICAL REVIEW LETTERS

Efficient Explicitly Correlated Many-Electron Perturbation Theory for Solids: Application to the Schottky Defect in MgO

(2015) Andreas Grüneis   PHYSICAL REVIEW LETTERS

Microscopic theory of singlet exciton fission. III. Crystalline pentacene

(2014) Timothy C. Berkelbach et al.   JOURNAL OF CHEMICAL PHYSICS

Low-Lying Electronic Excited States of Pentacene Oligomers: A Comparative Electronic Structure Study in the Context of Singlet Fission

(2014) Pedro B. Coto et al.   Journal of Chemical Theory and Computation

Singlet Fission: From Coherences to Kinetics

(2014) Geoffrey B. Piland et al.   Journal of Physical Chemistry Letters

A transferable model for singlet-fission kinetics

(2014) Shane R. Yost et al.   Nature Chemistry

Geminate and Nongeminate Recombination of Triplet Excitons Formed by Singlet Fission

(2014) Sam L. Bayliss et al.   PHYSICAL REVIEW LETTERS

A Correlated Electron View of Singlet Fission

(2013) Paul M. Zimmerman et al.   ACCOUNTS OF CHEMICAL RESEARCH

Singlet Exciton Fission in Polycrystalline Pentacene: From Photophysics toward Devices

(2013) Mark W. B. Wilson et al.   ACCOUNTS OF CHEMICAL RESEARCH

Recent Advances in Singlet Fission

(2013) Millicent B. Smith et al.   Annual Review of Physical Chemistry

Magnetic field effects and the role of spin states in singlet fission

(2013) Jonathan J. Burdett et al.   CHEMICAL PHYSICS LETTERS

Microscopic theory of singlet exciton fission. II. Application to pentacene dimers and the role of superexchange

(2013) Timothy C. Berkelbach et al.   JOURNAL OF CHEMICAL PHYSICS

Microscopic theory of singlet exciton fission. I. General formulation

(2013) Timothy C. Berkelbach et al.   JOURNAL OF CHEMICAL PHYSICS

Fission of Entangled Spins: An Electronic Structure Perspective

(2013) Xintian Feng et al.   Journal of Physical Chemistry Letters

Low-Energy Charge-Transfer Excitons in Organic Solids from First-Principles: The Case of Pentacene

(2013) Sahar Sharifzadeh et al.   Journal of Physical Chemistry Letters

Coulomb-hole summations and energies forGWcalculations with limited number of empty orbitals: A modified static remainder approach

(2013) Jack Deslippe et al.   PHYSICAL REVIEW B

Frenkel versus charge-transfer exciton dispersion in molecular crystals

(2013) Pierluigi Cudazzo et al.   PHYSICAL REVIEW B

Charge-Transfer Excitations Steer the Davydov Splitting and Mediate Singlet Exciton Fission in Pentacene

(2013) D. Beljonne et al.   PHYSICAL REVIEW LETTERS

External Quantum Efficiency Above 100% in a Singlet-Exciton-Fission-Based Organic Photovoltaic Cell

(2013) D. N. Congreve et al.   SCIENCE

Momentum dependence of the excitons in pentacene

(2012) Friedrich Roth et al.   JOURNAL OF CHEMICAL PHYSICS

Triplet vs Singlet Energy Transfer in Organic Semiconductors: The Tortoise and the Hare

(2012) Shane R. Yost et al.   Journal of Physical Chemistry C

In situ measurement of exciton energy in hybrid singlet-fission solar cells

(2012) Bruno Ehrler et al.   Nature Communications

BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures

(2011) Jack Deslippe et al.   COMPUTER PHYSICS COMMUNICATIONS

Mechanism for Singlet Fission in Pentacene and Tetracene: From Single Exciton to Two Triplets

(2011) Paul M. Zimmerman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ultrafast Dynamics of Exciton Fission in Polycrystalline Pentacene

(2011) Mark W. B. Wilson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Observing the Multiexciton State in Singlet Fission and Ensuing Ultrafast Multielectron Transfer

(2011) W.-L. Chan et al.   SCIENCE

Theory of multiexciton generation in semiconductor nanocrystals

(2010) Eran Rabani et al.   CHEMICAL PHYSICS LETTERS

Singlet Fission

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

Maximizing Singlet Fission in Organic Dimers: Theoretical Investigation of Triplet Yield in the Regime of Localized Excitation and Fast Coherent Electron Transfer†

(2010) Eric C. Greyson et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Exciton Fission and Charge Generation via Triplet Excitons in Pentacene/C60Bilayers

(2010) Akshay Rao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Enhanced Triplet Formation in Polycrystalline Tetracene Films by Femtosecond Optical-Pulse Shaping

(2010) Erik M. Grumstrup et al.   PHYSICAL REVIEW LETTERS

Controlling energy level offsets in organic/organic heterostructures using intramolecular polar bonds

(2009) Steffen Duhm et al.   APPLIED PHYSICS LETTERS

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

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

Morphology Effectively Controls Singlet-Triplet Exciton Relaxation and Charge Transport in Organic Semiconductors

(2009) V. K. Thorsmølle et al.   PHYSICAL REVIEW LETTERS