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Quantum Crystallography N-Representability
Cherif F. Matta, Lulu Huang, Lou Massa
Linus Pauling contributions span structural biology, chemistry in its broadest definition, quantum mechanical theory, valence bond theory, and even nuclear physics. A principal too…
quant-ph2021
Quantum Crystallography: Projectors and kernel subspaces preserving N-representability
Cherif F. Matta, Lou Massa
Consider a projector matrix P, representing the first order reduced density matrix in a basis of orthonormal atom-centric basis functions. A mathematical question arises, and that…