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Correction
In silico optimization of charge separating dyes for solar energy conversion
Analytical nonadiabatic couplings and gradients within the state-averaged orbital-optimized variational quantum eigensolver
Automated assessment of redox potentials for dyes in dye-sensitized photoelectrochemical cells
Efficient workflow for the investigation of the catalytic cycle of water oxidation catalysts
Generalization of intrinsic orbitals to Kramers-paired quaternion spinors, molecular fragments, and valence virtual spinors
A state-averaged orbital-optimized hybrid quantum–classical algorithm for a democratic description of ground and excited states
Orbital transformations to reduce the 1-norm of the electronic structure Hamiltonian for quantum computing applications
Photoinduced electron injection in a fully solvated dye sensitized photoanode: a dynamical semi-empirical study
The DIRAC code for relativistic molecular calculations
Calculating energy derivatives for quantum chemistry on a quantum computer