GW-BSE approach on S1 vertical transition energy of large charge transfer compounds: A performance assessment

Highly Efficient Sky-Blue Fluorescent Organic Light Emitting Diode Based on Mixed Cohost System for Thermally Activated Delayed Fluorescence Emitter (2CzPN)

(2016) Jin Won Sun et al.   ACS Applied Materials & Interfaces

molgw 1: Many-body perturbation theory software for atoms, molecules, and clusters

(2016) Fabien Bruneval et al.   COMPUTER PHYSICS COMMUNICATIONS

GW and Bethe-Salpeter study of small water clusters

(2016) Xavier Blase et al.   JOURNAL OF CHEMICAL PHYSICS

Evaluating the GW Approximation with CCSD(T) for Charged Excitations Across the Oligoacenes

(2016) Tonatiuh Rangel et al.   Journal of Chemical Theory and Computation

Quasi-Particle Self-Consistent GW for Molecules

(2016) F. Kaplan et al.   Journal of Chemical Theory and Computation

A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules

(2015) Fabien Bruneval et al.   JOURNAL OF CHEMICAL PHYSICS

0–0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life Compounds

(2015) Denis Jacquemin et al.   Journal of Chemical Theory and Computation

Coupled-cluster reference values for the GW27 and GW100 test sets for the assessment of GW methods

(2015) Katharina Krause et al.   MOLECULAR PHYSICS

Ab Initio Geometry and Bright Excitation of Carotenoids: Quantum Monte Carlo and Many Body Green’s Function Theory Calculations on Peridinin

(2014) Emanuele Coccia et al.   Journal of Chemical Theory and Computation

Benchmark Many-Body GW and Bethe–Salpeter Calculations for Small Transition Metal Molecules

(2014) Sabine Körbel et al.   Journal of Chemical Theory and Computation

Excited states properties of organic molecules: from density functional theory to the GW and Bethe-Salpeter Green's function formalisms

(2014) C. Faber et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Fully self-consistentGWand quasiparticle self-consistentGWfor molecules

(2014) P. Koval et al.   PHYSICAL REVIEW B

Computational Prediction for Singlet- and Triplet-Transition Energies of Charge-Transfer Compounds

(2013) Shuping Huang et al.   Journal of Chemical Theory and Computation

Efficient green thermally activated delayed fluorescence (TADF) from a phenoxazine–triphenyltriazine (PXZ–TRZ) derivative

(2012) Hiroyuki Tanaka et al.   CHEMICAL COMMUNICATIONS

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

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

Benchmarking the Starting Points of the GW Approximation for Molecules

(2012) Fabien Bruneval et al.   Journal of Chemical Theory and Computation

Benchmark ofGWmethods for azabenzenes

(2012) Noa Marom et al.   PHYSICAL REVIEW B

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

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

Electron-phonon coupling in the C60fullerene within the many-bodyGWapproach

(2011) Carina Faber et al.   PHYSICAL REVIEW B

First-principlesGWcalculations for DNA and RNA nucleobases

(2011) Carina Faber et al.   PHYSICAL REVIEW B

Psi4: an open-source ab initio electronic structure program

(2011) Justin M. Turney et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Fully self-consistent GW calculations for molecules

(2010) C. Rostgaard et al.   PHYSICAL REVIEW B