Selected configuration interaction (SCI) methods have emerged as state-of-the-art
methodologies for achieving high accuracy and generating benchmark reference data for …

Due to the infinite summation of bubble diagrams, the GW approximation of Green's function
perturbation theory has proven particularly effective in the weak correlation regime, where …

We present a scalable single-particle framework to treat electronic correlation in molecules
and materials motivated by Green's function theory. We derive a size-extensive Brillouin …

By recasting the non-linear frequency-dependent GW quasiparticle equation into a linear
eigenvalue problem, we explain the appearance of multiple solutions and unphysical …

Following our recent work on the benzene molecule [P.-F. Loos, Y. Damour, and A.
Scemama, J. Chem. Phys. 153, 176101 (2020)], motivated by the blind challenge of Eriksen …

The fidelity susceptibility is a tool for studying quantum phase transitions in the Hermitian
condensed matter systems. Recently, it has been generalized with the biorthogonal basis for …

Given the omnipresence of noncovalent interactions (NCIs), their accurate simulations are of
crucial importance across various scientific disciplines. Here we construct accurate models …

Non-Hermitian quantum systems can exhibit spectral degeneracies known as exceptional
points, where two or more eigenvectors coalesce, leading to a nondiagonalizable Jordan …

Based on 280 reference vertical transition energies of various excited states (singlet, triplet,
valence, Rydberg, n→ π*, π→ π*, and double excitations) extracted from the QUEST …

Quantum computation is one of the most promising new paradigms for the simulation of
physical systems composed of electrons and atomic nuclei, with applications in chemistry …