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Perturbative methods are attractive to describe the electronic structure of molecular systems because of their low-computational cost and systematically improvable character. In this work, a two-step perturbative approach is introduced…
The numerical cost of variational methods suggests using perturbative approaches to determine the electronic structure of molecular systems. In this work, a sequential construction of effective Hamiltonians drives the definition of…
Brillouin-Wigner (BW) perturbation theory is developed for both ground and excited states of open-shell nuclei. We show that with optimal partitioning of the many-body Hamiltonian proposed earlier by the authors [Z. Li and N. Smirnova,…
A Brillouin-Wigner perturbation theory is developed for open electromagnetic systems which are characterised by discrete resonant states with complex eigenenergies. Since these states are exponentially growing at large distances, a modified…
First principles calculations based on many-electron perturbation theory methods, such as the \textit{ab initio} GW and GW plus Bethe-Salpeter equation (GW-BSE) approach, are reliable ways to predict quasiparticle and optical properties of…
Second-order M{\o}ller-Plesset perturbation theory (MP2) often breaks down catastrophically in small-gap systems, leaving much to be desired in its performance for myriad chemical applications such as noncovalent interactions,…
We develop the high frequency expansion based on the Brillouin-Wigner (B-W) perturbation theory for driven systems with spin-orbit coupling which is applicable to the cases of silicene, germanene and stanene. We compute the effective…
Three well-known perturbative approaches to deriving low-energy effective theories, the degenerate Brillouin-Wigner perturbation theory (projection method), the canonical transformation, and the resolvent methods are compared. We use the…
The behavior of electronic states of one dimensional correlated disordered systems which are modelled by a tight binding Hamiltonian is studied analytically using the invariant measure method. The approach of Bovier is generalized to…
We propose a refined scheme of deriving an effective low-energy Hamiltonian for materials with strong electronic Coulomb correlations beyond density functional theory (DFT). By tracing out the electronic states away from the target degrees…
We present an approximation scheme based on selective Hilbert space truncation for characterizing non-thermal states of magnetic systems beyond spin-wave theory. We study applications to states that are inaccessible through linear spin-wave…
We explore the possibility of calculating electronic excited states by using perturbation theory along a range-separated adiabatic connection. Starting from the energies of a partially interacting Hamiltonian, a first-order correction is…
We develop a numerical Brillouin-zone integration scheme for real-time propagation of electronic systems with time-dependent density functional theory. This scheme is based on the decomposition of a large simulation into a set of small…
For the one-dimensional, extended Peierls--Hubbard model we calculate analytically the ground-state energy and the single-particle gap to second order in the Coulomb interaction for a given lattice dimerization. The comparison with…
We discuss a discrete approach to the multiscale reductive perturbative method and apply it to a biatomic chain with a nonlinear interaction between the atoms. This system is important to describe the time evolution of localized solitonic…
We present an elementary pedagogical derivation of the Brillouin-Wigner and the Rayleigh-Schr\"odinger perturbation theories with Epstein-Nesbet partitioning. A variant of the Brillouin-Wigner perturbation theory is also introduced, which…
In the `Many Interacting Worlds' (MIW) discrete Hamiltonian system approximation of Schr\"odinger's wave equation, introduced in \cite{hall_2014}, convergence of ground states to the Normal ground state of the quantum harmonic oscillator,…
We propose a new approach to the Rayleigh-Schr\"{o}dinger perturbation expansions of bound states in quantum mechanics. We are inspired by the enormous flexibility of solvable interactions with several (N) discontinuities. Their standard…
This report discusses two new ideas for using perturbation methods to solve the time-independent Schr\"odinger equation. The first concept begins with rewriting the perturbation equations in a form that is closely related to matrix…
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-Wigner perturbation theory from the single-particle…