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- W2951210674 abstract "We investigate the existence of holomorphic Hartree-Fock solutions using a revised SCF algorithm. We use this algorithm to study the Hartree-Fock solutions for H$_{2}$ and H$_{4}^{2+}$ and report the emergence of holomorphic solutions at points of symmetry breaking. Finally, we find these holomorphic solutions for H$_{4}$ and use them as a basis for Non-Orthogonal Configuration Interaction at a range of rectangular geometries and show them to produce energies in good agreement with Full Configuration Interaction." @default.
- W2951210674 created "2019-06-27" @default.
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- W2951210674 date "2015-09-03" @default.
- W2951210674 modified "2023-09-27" @default.
- W2951210674 title "Holomorphic Hartree-Fock theory: an inherently multireference approach" @default.
- W2951210674 hasPublicationYear "2015" @default.
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