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Sponsored Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt

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J. Serna

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Preprint Sep 2026

Accelerating Periodic Coupled Cluster and Algebraic Diagrammatic Construction Theories With Frozen Natural Orbitals

We present a unified frozen natural orbital (FNO) framework for periodic Gaussian-orbital post-Hartree-Fock calculations with explicit k-point sampling. The approach includes conventional ground-state FNOs together with state-specific (SS-FNO) and state-averaged (SA-FNO) variants constructed from perturbative one-parti...

Ning-Yuan Chen, J. Serna, Alexander Yu. Sokolov · 0 citations

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