AI Networking Cookbook: Practical recipes for AI-assisted network automation and development
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A unified symmetry-aware density matrix renormalization group (DMRG) framework for multicomponent quantum chemistry is presented, allowing new models to be implemented through concise Python-level specifications while fully reusing the optimized computational backend.
X-ray absorption spectroscopy (XAS) is widely used as an element-specific probe of local electronic and geometric structures, yet its accurate simulation for correlated systems remains challenging because it requires the simultaneous treatment of large active spaces and dynamic electron correlation. In this work, we pr...
Accurate prediction of nuclear magnetic resonance (NMR) shielding constants for strongly correlated systems remains challenging. In this context, we present a density matrix renormalization group self-consistent-field (DMRG-SCF) implementation for NMR shielding calculations with large active spaces. Within a gauge-in...
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