The Bethe–Salpeter equation in chemistry: relations with TD-DFT, applications and challenges

Excited state gradients for a state-specific continuum solvation approach: The vertical excitation model within a Lagrangian TDDFT formulation

(2017) Ciro Achille Guido et al.   JOURNAL OF CHEMICAL PHYSICS

An assessment of low-lying excitation energies and triplet instabilities of organic molecules with an ab initio Bethe-Salpeter equation approach and the Tamm-Dancoff approximation

(2017) Tonatiuh Rangel et al.   JOURNAL OF CHEMICAL PHYSICS

Bethe-Salpeter study of cationic dyes: Comparisons with ADC(2) and TD-DFT

(2017) Cloé Azarias et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: Symmetry-adapted perturbation theory with intermolecular induction and dispersion energies from the Bethe–Salpeter equation

(2017) Christof Holzer et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular size insensitivity of optical gap of [n]cycloparaphenylenes (n = 3-16)

(2017) Yoshifumi Noguchi et al.   JOURNAL OF CHEMICAL PHYSICS

Quantitative characterization of exciton fromGW+Bethe-Salpeter calculation

(2017) Daichi Hirose et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical S1 ← S0 Absorption Energies of the Anionic Forms of Oxyluciferin by Variational Monte Carlo and Many-Body Green’s Function Theory

(2017) Emanuele Coccia et al.   Journal of Chemical Theory and Computation

Intermolecular Singlet and Triplet Exciton Transfer Integrals from Many-Body Green’s Functions Theory

(2017) Jens Wehner et al.   Journal of Chemical Theory and Computation

Benchmark of Bethe-Salpeter for Triplet Excited-States

(2017) Denis Jacquemin et al.   Journal of Chemical Theory and Computation

GW Vertex Corrected Calculations for Molecular Systems

(2017) Emanuele Maggio et al.   Journal of Chemical Theory and Computation

Benchmarking the GW Approximation and Bethe–Salpeter Equation for Groups IB and IIB Atoms and Monoxides

(2017) Linda Hung et al.   Journal of Chemical Theory and Computation

Tuning Optical Properties of Dibenzochrysenes by Functionalization: A Many-Body Perturbation Theory Study

(2017) Nicolas Dardenne et al.   Journal of Physical Chemistry C

Modeling the Photochrome–TiO2 Interface with Bethe–Salpeter and Time-Dependent Density Functional Theory Methods

(2017) Daniel Escudero et al.   Journal of Physical Chemistry Letters

Is the Bethe–Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD

(2017) Denis Jacquemin et al.   Journal of Physical Chemistry Letters

Analytic Interatomic Forces in the Random Phase Approximation

(2017) Benjamin Ramberger et al.   PHYSICAL REVIEW LETTERS

Correlated electron-hole mechanism for molecular doping in organic semiconductors

(2017) Jing Li et al.   PHYSICAL REVIEW MATERIALS

Effect of crystal packing on the excitonic properties of rubrene polymorphs

(2016) Xiaopeng Wang et al.   CRYSTENGCOMM

Electronic excitations in solution-processed oligothiophene small-molecules for organic solar cells

(2016) F. Gala et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2016) Vafa Ziaei et al.   JOURNAL OF CHEMICAL PHYSICS

Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel

(2016) Elisa Rebolini et al.   JOURNAL OF CHEMICAL PHYSICS

Combining the GW formalism with the polarizable continuum model: A state-specific non-equilibrium approach

(2016) Ivan Duchemin et al.   JOURNAL OF CHEMICAL PHYSICS

GW and Bethe-Salpeter study of small water clusters

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

Assessment of the Accuracy of the Bethe–Salpeter (BSE/GW) Oscillator Strengths

(2016) Denis Jacquemin et al.   Journal of Chemical Theory and Computation

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

Computational Evidence of Inversion of 1La and 1Lb-Derived Excited States in Naphthalene Excimer Formation from ab Initio Multireference Theory with Large Active Space: DMRG-CASPT2 Study

(2016) Soichi Shirai et al.   Journal of Chemical Theory and Computation

Automated Selection of Active Orbital Spaces

(2016) Christopher J. Stein et al.   Journal of Chemical Theory and Computation

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods

(2016) Joseph W. Knight et al.   Journal of Chemical Theory and Computation

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules II: Non-Empirically Tuned Long-Range Corrected Hybrid Functionals

(2016) Lukas Gallandi et al.   Journal of Chemical Theory and Computation

Modeling emission features of salicylidene aniline molecular crystals: A QM/QM’ approach

(2016) Davide Presti et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Implementation of the Bethe−Salpeter equation in the TURBOMOLE program

(2016) Katharina Krause et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Combining the Many-Body GW Formalism with Classical Polarizable Models: Insights on the Electronic Structure of Molecular Solids

(2016) Jing Li et al.   Journal of Physical Chemistry Letters

Multiconfiguration Pair-Density Functional Theory Is as Accurate as CASPT2 for Electronic Excitation

(2016) Chad E. Hoyer et al.   Journal of Physical Chemistry Letters

Optical properties of acene molecules and pentacene crystal from the many-body Green's function method

(2016) Xia Leng et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Taking Up the Cyanine Challenge with Quantum Tools

(2015) Boris Le Guennic et al.   ACCOUNTS OF CHEMICAL RESEARCH

Does Excess Energy Assist Photogeneration in an Organic Low-Bandgap Solar Cell?

(2015) Tobias Hahn et al.   ADVANCED FUNCTIONAL MATERIALS

Excitons and Davydov splitting in sexithiophene from first-principles many-body Green’s function theory

(2015) Xia Leng et al.   JOURNAL OF CHEMICAL PHYSICS

Solvent effects in time-dependent self-consistent field methods. II. Variational formulations and analytical gradients

(2015) J. A. Bjorgaard et al.   JOURNAL OF CHEMICAL PHYSICS

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

Large Scale GW Calculations

(2015) Marco Govoni et al.   Journal of Chemical Theory and Computation

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

Benchmarking the Bethe–Salpeter Formalism on a Standard Organic Molecular Set

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

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

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

Assessment of the convergence of partially self-consistent BSE/GW calculations

(2015) Denis Jacquemin et al.   MOLECULAR PHYSICS

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

(2015) Katharina Krause et al.   MOLECULAR PHYSICS

Performance of SOPPA-based methods in the calculation of vertical excitation energies and oscillator strengths

(2015) Stephan P.A. Sauer et al.   MOLECULAR PHYSICS

Bound excitons and many-body effects in x-ray absorption spectra of azobenzene-functionalized self-assembled monolayers

(2015) Caterina Cocchi et al.   PHYSICAL REVIEW B

Optical spectra from molecules to crystals: Insight from many-body perturbation theory

(2015) Caterina Cocchi et al.   PHYSICAL REVIEW B

Exploring approximations to theGWself-energy ionic gradients

(2015) C. Faber et al.   PHYSICAL REVIEW B

Cubic-scaling iterative solution of the Bethe-Salpeter equation for finite systems

(2015) M. P. Ljungberg et al.   PHYSICAL REVIEW B

All-electronGW+Bethe-Salpeter calculations on small molecules

(2015) Daichi Hirose et al.   PHYSICAL REVIEW B

Choosing an atomic basis set for TD-DFT, SOPPA, ADC(2), CIS(D), CC2 and EOM-CCSD calculations of low-lying excited states of organic dyes

(2015) Adèle D. Laurent et al.   THEORETICAL CHEMISTRY ACCOUNTS

Organic Electronic Materials: Recent Advances in the DFT Description of the Ground and Excited States Using Tuned Range-Separated Hybrid Functionals

(2014) Thomas Körzdörfer et al.   ACCOUNTS OF CHEMICAL RESEARCH

First Principles Calculations of Charge Transfer Excitations in Polymer-Fullerene Complexes: Influence of Excess Energy

(2014) Dorota Niedzialek et al.   ADVANCED FUNCTIONAL MATERIALS

First-principles investigation on Rydberg and resonance excitations: A case study of the firefly luciferin anion

(2014) Yoshifumi Noguchi 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

Assessment of density functional theory based ΔSCF (self-consistent field) and linear response methods for longest wavelength excited states of extended π-conjugated molecular systems

(2014) Michael Filatov et al.   JOURNAL OF CHEMICAL 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

Electronic Excitations in Push–Pull Oligomers and Their Complexes with Fullerene from Many-Body Green’s Functions Theory with Polarizable Embedding

(2014) Björn Baumeier et al.   Journal of Chemical Theory and Computation

Applications of Time Dependent and Time Independent Density Functional Theory to the First π to π* Transition in Cyanine Dyes

(2014) Hristina Zhekova et al.   Journal of Chemical Theory and Computation

Combining the Bethe–Salpeter Formalism with Time-Dependent DFT Excited-State Forces to Describe Optical Signatures: NBO Fluoroborates as Working Examples

(2014) Paul Boulanger et al.   Journal of Chemical Theory and Computation

Benchmarking Coupled Cluster Methods on Valence Singlet Excited States

(2014) Dániel Kánnár et al.   Journal of Chemical Theory and Computation

Performance of an Optimally Tuned Range-Separated Hybrid Functional for 0–0 Electronic Excitation Energies

(2014) Denis Jacquemin 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

Computational Protocol for Modeling Thermochromic Molecular Crystals: Salicylidene Aniline As a Case Study

(2014) Davide Presti et al.   Journal of Chemical Theory and Computation

Fast and Accurate Electronic Excitations in Cyanines with the Many-Body Bethe–Salpeter Approach

(2014) Paul Boulanger et al.   Journal of Chemical Theory and Computation

Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II)

(2014) Alexander Hoffmann et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds

(2014) Antonio Prlj et al.   Journal of Physical Chemistry Letters

Impact of mesoscale order on open-circuit voltage in organic solar cells

(2014) Carl Poelking et al.   NATURE MATERIALS

Fully self-consistentGWand quasiparticle self-consistentGWfor molecules

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

Charge-Transfer Excited States in Aqueous DNA: Insights from Many-Body Green’s Function Theory

(2014) Huabing Yin et al.   PHYSICAL REVIEW LETTERS

Breaking the Theoretical Scaling Limit for Predicting Quasiparticle Energies: The StochasticGWApproach

(2014) Daniel Neuhauser et al.   PHYSICAL REVIEW LETTERS

Ground state structures and electronic excitations of biological chromophores at Quantum Monte Carlo/Many Body Green’s Function Theory level

(2014) Daniele Varsano et al.   Computational and Theoretical Chemistry

Electronic excitations in light absorbers for photoelectrochemical energy conversion: first principles calculations based on many body perturbation theory

(2013) Yuan Ping et al.   CHEMICAL SOCIETY REVIEWS

TD-DFT benchmarks: A review

(2013) Adèle D. Laurent et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

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

(2013) Conor Hogan et al.   JOURNAL OF CHEMICAL PHYSICS

Dynamical second-order Bethe-Salpeter equation kernel: A method for electronic excitation beyond the adiabatic approximation

(2013) Du Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Many-body Green's function GW and Bethe-Salpeter study of the optical excitations in a paradigmatic model dipeptide

(2013) C. Faber et al.   JOURNAL OF CHEMICAL PHYSICS

Quartic scaling second-order approximate coupled cluster singles and doubles via tensor hypercontraction: THC-CC2

(2013) Edward G. Hohenstein et al.   JOURNAL OF CHEMICAL PHYSICS

Energy-level alignment in organic dye-sensitized TiO2 from GW calculations

(2013) P. Umari et al.   JOURNAL OF CHEMICAL PHYSICS

On the Metric of Charge Transfer Molecular Excitations: A Simple Chemical Descriptor

(2013) Ciro A. Guido et al.   Journal of Chemical Theory and Computation

Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory

(2013) M. Rohrmüller et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory†

(2013) Anton Jesser et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Photoabsorption of Acridine Yellow and Proflavin Bound to Human Serum Albumin Studied by Means of Quantum Mechanics/Molecular Dynamics

(2013) Kȩstutis Aidas et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

On the triplet instability in TDDFT

(2013) Michael J.G. Peach et al.   MOLECULAR PHYSICS

Resonant hot charge-transfer excitations in fullerene-porphyrin complexes: Many-body Bethe-Salpeter study

(2013) Ivan Duchemin et al.   PHYSICAL REVIEW B

Frenkel versus charge-transfer exciton dispersion in molecular crystals

(2013) Pierluigi Cudazzo et al.   PHYSICAL REVIEW B

Theoretical Modeling of Large Molecular Systems. Advances in the Local Self Consistent Field Method for Mixed Quantum Mechanics/Molecular Mechanics Calculations

(2012) Antonio Monari et al.   ACCOUNTS OF CHEMICAL RESEARCH

Progress in Time-Dependent Density-Functional Theory

(2012) M.E. Casida et al.   Annual Review of Physical Chemistry

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

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

Absorption and Emission Spectra of Solvated Molecules with the EOM–CCSD–PCM Method

(2012) Marco Caricato   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

Frenkel and Charge-Transfer Excitations in Donor–acceptor Complexes from Many-Body Green’s Functions Theory

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

TD-DFT Assessment of Functionals for Optical 0–0 Transitions in Solvated Dyes

(2012) Denis Jacquemin et al.   Journal of Chemical Theory and Computation

Benchmark Studies on the Building Blocks of DNA. 1. Superiority of Coupled Cluster Methods in Describing the Excited States of Nucleobases in the Franck–Condon Region

(2012) Péter G. Szalay et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Overcoming Low Orbital Overlap and Triplet Instability Problems in TDDFT

(2012) Michael J. G. Peach et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Benchmarks for 0–0 transitions of aromatic organic molecules: DFT/B3LYP, ADC(2), CC2, SOS-CC2 and SCS-CC2 compared to high-resolution gas-phase data

(2012) Nina O. C. Winter et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Analytical expression for the excited-state force from density-functional perturbation theory

(2012) Takayuki Tsukagoshi et al.   PHYSICAL REVIEW A

Many-body Green's function study of coumarins for dye-sensitized solar cells

(2012) Carina Faber et al.   PHYSICAL REVIEW B

Strategy for finding a reliable starting point forG0W0demonstrated for molecules

(2012) Thomas Körzdörfer 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

Excitons in molecular crystals from first-principles many-body perturbation theory: Picene versus pentacene

(2012) Pierluigi Cudazzo et al.   PHYSICAL REVIEW B

Redshift of Excitons in Carbon Nanotubes Caused by the Environment Polarizability

(2012) Michael Rohlfing   PHYSICAL REVIEW LETTERS

Short-Range to Long-Range Charge-Transfer Excitations in the Zincbacteriochlorin-Bacteriochlorin Complex: A Bethe-Salpeter Study

(2012) I. Duchemin et al.   PHYSICAL REVIEW LETTERS

Charge-transfer excitations in molecular donor-acceptor complexes within the many-body Bethe-Salpeter approach

(2011) X. Blase et al.   APPLIED PHYSICS LETTERS

Many-body study of the photoisomerization of the minimal model of the retinal protonated Schiff base

(2011) Adriano Mosca Conte et al.   CHEMICAL PHYSICS LETTERS

Communication: Orbital instabilities and triplet states from time-dependent density functional theory and long-range corrected functionals

(2011) John S. Sears et al.   JOURNAL OF CHEMICAL PHYSICS

An O(N3) implementation of Hedin's GW approximation for molecules

(2011) D. Foerster et al.   JOURNAL OF CHEMICAL PHYSICS

Analytical Hessian of electronic excited states in time-dependent density functional theory with Tamm-Dancoff approximation

(2011) Jie Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Double excitations in correlated systems: A many–body approach

(2011) Davide Sangalli et al.   JOURNAL OF CHEMICAL PHYSICS

Double-Hybrid Density Functionals Provide a Balanced Description of Excited1Laand1LbStates in Polycyclic Aromatic Hydrocarbons

(2011) Lars Goerigk et al.   Journal of Chemical Theory and Computation

Electronic Excitations of Simple Cyanine Dyes: Reconciling Density Functional and Wave Function Methods

(2011) Robert Send et al.   Journal of Chemical Theory and Computation

Influence of Triplet Instabilities in TDDFT

(2011) Michael J. G. Peach et al.   Journal of Chemical Theory and Computation

A Qualitative Index of Spatial Extent in Charge-Transfer Excitations

(2011) Tangui Le Bahers et al.   Journal of Chemical Theory and Computation

Excited-state calculations with TD-DFT: from benchmarks to simulations in complex environments

(2011) Denis Jacquemin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Color modeling of protein optical probes

(2011) N. Arul Murugan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Transport properties of molecular junctions from many-body perturbation theory

(2011) T. Rangel et al.   PHYSICAL REVIEW B

Electronic energy level alignment at metal-molecule interfaces with aGWapproach

(2011) Isaac Tamblyn et al.   PHYSICAL REVIEW B

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

(2011) Carina Faber et al.   PHYSICAL REVIEW B

Fundamental and excitation gaps in molecules of relevance for organic photovoltaics from an optimally tuned range-separated hybrid functional

(2011) Sivan Refaely-Abramson et al.   PHYSICAL REVIEW B

First-principlesGWcalculations for DNA and RNA nucleobases

(2011) Carina Faber et al.   PHYSICAL REVIEW B

Renormalization of Optical Excitations in Molecules near a Metal Surface

(2011) J. M. Garcia-Lastra et al.   PHYSICAL REVIEW LETTERS

Blueshifting the Onset of Optical UV Absorption for Water under Pressure

(2011) Andreas Hermann et al.   PHYSICAL REVIEW LETTERS

Practical computation of electronic excitation in solution: vertical excitation model

(2011) Aleksandr V. Marenich et al.   Chemical Science

Benchmarks of electronically excited states: Basis set effects on CASPT2 results

(2010) Mario R. Silva-Junior et al.   JOURNAL OF CHEMICAL PHYSICS

Ab initio calculations of optical absorption spectra: Solution of the Bethe–Salpeter equation within density matrix perturbation theory

(2010) Dario Rocca et al.   JOURNAL OF CHEMICAL PHYSICS

Oscillator Strength: How Does TDDFT Compare to EOM-CCSD?

(2010) Marco Caricato et al.   Journal of Chemical Theory and Computation

Basis set effects on coupled cluster benchmarks of electronically excited states: CC3, CCSDR(3) and CC2

(2010) Mario R. Silva-Junior et al.   MOLECULAR PHYSICS

Electronic excitations from a perturbativeLDA+GdWapproach

(2010) Michael Rohlfing   PHYSICAL REVIEW B

Diabatic states of a photoexcited retinal chromophore fromab initiomany-body perturbation theory

(2010) Marcin S. Kaczmarski et al.   PHYSICAL REVIEW B

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

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

Double excitations in finite systems

(2009) P. Romaniello et al.   JOURNAL OF CHEMICAL PHYSICS

Extensive TD-DFT Benchmark: Singlet-Excited States of Organic Molecules

(2009) Denis Jacquemin et al.   Journal of Chemical Theory and Computation

Modeling the Excited States of Biological Chromophores within Many-Body Green’s Function Theory

(2009) Yuchen Ma et al.   Journal of Chemical Theory and Computation

Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Using Time-Dependent Density Functional Theory

(2009) Tamar Stein et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The role of polymorphism in organic thin films: oligoacenes investigated from first principles

(2009) Claudia Ambrosch-Draxl et al.   NEW JOURNAL OF PHYSICS

Computation of accurate excitation energies for large organic molecules with double-hybrid density functionals

(2009) Lars Goerigk et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Excited states of biological chromophores studied using many-body perturbation theory: Effects of resonant-antiresonant coupling and dynamical screening

(2009) Yuchen Ma et al.   PHYSICAL REVIEW B

Renormalization of Molecular Quasiparticle Levels at Metal-Molecule Interfaces: Trends across Binding Regimes

(2009) Kristian S. Thygesen et al.   PHYSICAL REVIEW LETTERS

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

Excitation energies in density functional theory: An evaluation and a diagnostic test

(2008) Michael J. G. Peach et al.   JOURNAL OF CHEMICAL PHYSICS

Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction

(2008) Mario R. Silva-Junior et al.   JOURNAL OF CHEMICAL PHYSICS

Neutral and charged excitations in carbon fullerenes from first-principles many-body theories

(2008) Murilo L. Tiago et al.   JOURNAL OF CHEMICAL PHYSICS

Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3

(2008) Marko Schreiber et al.   JOURNAL OF CHEMICAL PHYSICS

Optical spectra and exchange-correlation effects in molecular crystals

(2008) Na Sai et al.   PHYSICAL REVIEW B

Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects

(2008) A. Hermann et al.   PHYSICAL REVIEW LETTERS

Orbital-dependent density functionals: Theory and applications

(2008) Stephan Kümmel et al.   REVIEWS OF MODERN PHYSICS

The Chemistry of Fluorescent Bodipy Dyes: Versatility Unsurpassed

(2007) Gilles Ulrich et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION