Necessary and sufficient conditions are established for the N-representability of the universal one-electron reduced density matrix functional, guaranteeing variational upper bounds on the true energy regardless of interparticle repulsion strength.
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UNVERDICTED 3representative citing papers
Sn incorporation in MBA₂SnₓPb₁₋ₓI₄ distorts octahedra with only minor effect on structural chirality while substantially enhancing phonon chirality, yet without increasing temperature-gradient angular momentum due to mode compensation.
Molecular dynamics with ML force fields shows inorganic layers in MBA2PbI4 lose chirality faster than organic cations with rising temperature due to hydrogen bond breaking.
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Necessary and sufficient conditions for the N-representability of functionals of the one-electron reduced density matrix
Necessary and sufficient conditions are established for the N-representability of the universal one-electron reduced density matrix functional, guaranteeing variational upper bounds on the true energy regardless of interparticle repulsion strength.
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Impact of Metal Cation on Chiral Properties of 2D Halide Perovskites
Sn incorporation in MBA₂SnₓPb₁₋ₓI₄ distorts octahedra with only minor effect on structural chirality while substantially enhancing phonon chirality, yet without increasing temperature-gradient angular momentum due to mode compensation.
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Temperature-Dependent Chirality in Halide Perovskites
Molecular dynamics with ML force fields shows inorganic layers in MBA2PbI4 lose chirality faster than organic cations with rising temperature due to hydrogen bond breaking.