Strong Coupling in Chiral Cavities: Nonperturbative Framework for Enantiomer Discrimination

Effective Single-Mode Methodology for Strongly Coupled Multimode Molecular-Plasmon Nanosystems

Entanglement coupled cluster theory: Exact spin-adaptation

Communication: Non-adiabatic derivative coupling elements for the coupled cluster singles and doubles model

Integrated Multiscale Multilevel Approach to Open Shell Molecular Systems

Linear response properties of solvated systems: a computational study

Oscillator Strengths in the Framework of Equation of Motion Multilevel CC3

Implementation of Occupied and Virtual Edmiston-Ruedenberg Orbitals Using Cholesky Decomposed Integrals

Fragment Localized Molecular Orbitals

Efficient implementation of molecular CCSD gradients with Cholesky-decomposed electron repulsion integrals

On the characteristic features of ionization in QED environments

Multi-electron excitation contributions towards primary and satellite states in the photoelectron spectrum

Molecular orbital theory in cavity QED environments

Excited state absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study

Simulating weak-field attosecond processes with a Lanczos reduced basis approach to time-dependent equation-of-motion coupled-cluster theory

Linear-Scaling Implementation of Multilevel Hartree-Fock Theory

Predictions of Pre-edge Features in Time-Resolved Near-Edge X-ray Absorption Fine Structure Spectroscopy from Hole-Hole Tamm-Dancoff-Approximated Density Functional Theory

The effect of midbond functions on interaction energies computed using MP2 and CCSD(T)

Strong Coupling between Localized Surface Plasmons and Molecules by Coupled Cluster Theory

Transient resonant Auger-Meitner spectra of photoexcited thymine

New and Efficient Implementation of CC3

Energy-Based Molecular Orbital Localization in a Specific Spatial Region

Biorthonormal Formalism for Nonadiabatic Coupled Cluster Dynamics

Multilevel CC2 and CCSD in Reduced Orbital Spaces: Electronic Excitations in Large Molecular Systems

Multilevel Density Functional Theory

Combining multilevel Hartree-Fock and multilevel coupled cluster approaches with molecular mechanics: a study of electronic excitations in solutions

Intermolecular interactions in optical cavities: An ab initio QED study

Excited-State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods

Equation-of-motion coupled-cluster method with double electron-attaching operators: Theory, implementation, and benchmarks

Describing ground and excited state potential energy surfaces for molecular photoswitches using coupled cluster models

Multilevel CC2 and CCSD Methods with Correlated Natural Transition Orbitals

E ^T1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods

Accurate Description of Photoionization Dynamical Parameters

Accelerated multimodel Newton-type algorithms for faster convergence of ground and excited state coupled cluster equations

Time-dependent coupled-cluster theory for ultrafast transient-absorption spectroscopy

Equation-of-Motion MLCCSD and CCSD-in-HF Oscillator Strengths and Their Application to Core Excitations

Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States

An analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis sets

An efficient algorithm for Cholesky decomposition of electron repulsion integrals

Observation of ultrafast intersystem crossing in thymine by extreme ultraviolet time-resolved photoelectron spectroscopy

An Orbital Invariant Similarity Constrained Coupled Cluster Model

Spin adapted implementation of EOM-CCSD for triplet excited states: Probing intersystem crossings of acetylacetone at the carbon and oxygen K-edges

X‑ray and UV spectra of glycine within coupled cluster linear response theory

A theoretical and experimental benchmark study of core-excited states in nitrogen

Large-Scale Electron Correlation Calculations: Rank-Reduced Full Configuration Interaction

Probing molecular photoinduced dynamics by ultrafast soft x-rays

Correlated natural transition orbitals for core excitation energies in multilevel coupled cluster models

Solvent Effects on Optical Rotation: On the Balance between Hydrogen Bonding and Shifts in Dihedral Angles

Tautomerization of Thymine Using Ultraviolet Light

Resolving the notorious case of conical intersections for coupled cluster dynamics