Related Experiment Video
Updated: Sep 2, 2026

A Photonic System for Generating Unconditional Polarization-Entangled Photons Based on Multiple Quantum Interference
Published on: September 5, 2019
BWs-ADC: The algebraic diagrammatic construction for the polarization propagator using a size-consistent
Linus Bjarne Dittmer1, Adrian Johannes Müller1, Jonas Leitner1
1Interdisciplinary Center for Scientific Computing, Ruprecht-Karls University, Im Neuenheimer Feld 205, 69120 Heidelberg, Germany.
Abstract:
We present the algebraic diagrammatic construction for the polarization propagator (PP-ADC) formulated with a two-parameter, size-consistent Brillouin-Wigner partitioning (BWs) up to third order in perturbation theory (BWs-ADC). The resulting method is size-consistent, size-extensive, and regular and extends the applicability of ADC to systems with degenerate electronic ground states. We demonstrate that the secular matrices of BWs-ADC(2) and BWs-ADC(3) are structurally equivalent to their Møller-Plesset (MP-ADC) counterparts and determine optimal regularization parameters by analyzing the dissociation of H2 in a minimal basis. These parameters are subsequently refined using a benchmark set of 122 single excitations comprising both valence and Rydberg states. BWs-ADC(2) favors strong regularization in the occupied space, whereas virtual-space regularization is found to significantly increase excitation energy errors. In contrast, BWs-ADC(3) generally benefits from slight de-regularization. Both methods achieve a mean absolute error (MAE) of 0.15 eV, representing a substantial improvement over the corresponding MP-ADC approaches; for BWs-ADC(3), this error is dominated by a small number of outliers, whereas BWs-ADC(2) exhibits more uniform accuracy. A second benchmark demonstrates that parameter-optimized BWs-ADC methods also yield significantly improved oscillator strengths and excited-state dipole moments. Overall, BWs-ADC provides improved accuracy for single-reference systems while simultaneously extending the applicability of ADC to few-reference regimes, including bond dissociation processes, diradical species, and selected transition metal complexes.
Related Concept Videos
Bewley Lattice Diagram
The de Broglie Wavelength
¹H NMR: Complex Splitting
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied first.
Debye–Huckel–Onsager Conductance Equation
Transfer function and Bode Plots-II
Impedance Combination

