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Efficient spectral computation of the stationary states of rotating Bose-Einstein condensates by preconditioned nonlinear conjugate gradient methods., , and . J. Comput. Phys., (2017)Practical Error Bounds for Properties in Plane-Wave Electronic Structure Calculations., , , and . SIAM J. Sci. Comput., 44 (5): 1312- (October 2022)Efficient extraction of resonant states in systems with defects., , , , and . J. Comput. Phys., (March 2023)Variational Formulation for Wannier Functions with Entangled Band Structure., , and . Multiscale Modeling & Simulation, 17 (1): 167-191 (2019)A posteriori error estimation for the non-self-consistent Kohn-Sham equations., , and . CoRR, (2020)Numerical quadrature in the Brillouin zone for periodic Schrödinger operators., , , , and . Numerische Mathematik, 144 (3): 479-526 (2020)A robust and efficient line search for self-consistent field iterations., and . J. Comput. Phys., (2022)Convergence Analysis of Direct Minimization and Self-Consistent Iterations., , and . SIAM J. Matrix Anal. Appl., 42 (1): 243-274 (2021)A robust, open-source implementation of the locally optimal block preconditioned conjugate gradient for large eigenvalue problems in quantum chemistry., , , and . CoRR, (2023)Black-box inhomogeneous preconditioning for self-consistent field iterations in density functional theory., and . CoRR, (2020)