Leiden University Scholarly Publications

Performance comparison of optimization methods on variational quantum algorithms

Analytical nonadiabatic couplings and gradients within the state-averaged orbital-optimized variational quantum eigensolver

Encoding strongly-correlated many-boson wavefunctions on a photonic quantum computer

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

The DIRAC code for relativistic molecular calculations

OpenFermion: the electronic structure package for quantum computers

N‐centered ensemble density‐functional theory for open systems

Calculating energy derivatives for quantum chemistry on a quantum computer

Projected site-occupation embedding theory