Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction

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We derive generalized sheet transition conditions (GSTCs) including dipoles and quadrupoles, using generalized functions (distributions). This derivation verifies that the GSTCs are valid for metasurfaces in non-homogeneous environments, such as for practi ...

Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction

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Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

Quadrupolar susceptibility modeling of substrated metasurfaces with application to the generalized Brewster effect