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Solving the Quantum Chemistry Equations and High-Temperature-Superconductivity Problem

Evgeny Z. Liverts
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Abstract

The conventional technique for solving the equations of quantum chemistry (of solid state) is extended unconventionally to the structures possessing certain symmetries. This proposal concerns changing the way for selection of occupied orbitals, allowing, in turn, to release the unoccupied electronic states located lower than the ground state Fermi level of a specific system. Such states can be treated as 'spectral holes'. Application of this technique, in particular, when calculating the electronic structure of the HTSC-compound $YBa_2Cu_3O_{7-x}$ (0 0). One could easily connect the obtained results to the high-temperature superconductivity of Little's linear chains, as well as Ginzburg's two-dimensional layers and even to BCS-model.

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Evgeny Z. Liverts. 2001-06-15. Solving the Quantum Chemistry Equations and High-Temperature-Superconductivity Problem. https://arxiv.org/abs/physics/0106047

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