Reduced-density-matrix theory for many-electron correlation
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\(N\)-electron wavefunctioncontracted Schrödinger equationparametric 2-RDM methodpositivity conditionsreduced density matrix
Variational principles of physics (49S05) Computational methods for problems pertaining to quantum theory (81-08) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) Molecular physics (81V55)
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(5)- Explicitly correlated electronic structure theory
- Variational approach to electronic structure calculations on second-order reduced density matrices and the N-representability problem
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- Two-electron wavefunctions are matrix product states with bond dimension three
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