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Utilizing a Perturbative Inverse of the Hamiltonian to Improve Lanczos Diagonalization

Keyes, Jeffrey et al.
arXiv (All) · Papers
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chemical-physics
The use of the shifted inverse Hamiltonian in the Lanczos algorithm is examined. We present a perturbative inverse and demonstrate that the Krylov subspace formed from it is better suited to approximating the ground state wavefunction compared with the Hamiltonian itself. We further demonstrate that
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