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The quasiparticle self-consistent QS$GW$ approach incorporates the corrections of the quasiparticle energies from their Kohn-Sham density functional theory (DFT) eigenvalues by means of an energy independent and Hermitian self-energy matrix…
A new formalism is presented for high-energy analysis of the Green function for Fokker-Planck and Schr\"odinger equations in one dimension. Formulas for the asymptotic expansion in powers of the inverse wave number are derived, and…
A strong-coupling series expansion for the Green's function and the extremely-correlated Fermi liquid (ECFL) theory are used to calculate the moments of the electronic spectral functions of the infinite-U Hubbard model. Results from these…
Koopmans spectral functionals aim to describe simultaneously ground state properties and charged excitations of atoms, molecules, nanostructures and periodic crystals. This is achieved by augmenting standard density functionals with simple…
Calculations of excited states in Green's function formalism often invoke the diagonal approximation, in which the quasiparticle states are taken from a mean-field calculation. Here, we extend the stochastic approaches applied in the…
An expression for the Green function G(E;x_1,x_2) of the Schroedinger equation is obtained through the approximations of the path integral by n-fold multiple integrals. The approximations to Re{G(E;x,x)} on the real E-axis have peaks near…
The algorithm to calculate the generating function for the number of ``skeleton'' diagrams for the irreducible self-energy and vertex parts is derived for the problems with Gaussian random fields. We find an exact recurrence relation…
The self-energy embedding theory (SEET), in which the active space self-energy is embedded in the self-energy obtained from a perturbative method treating the non-local correlation effects, was recently developed in our group. In SEET the…
The cumulant expansion is a powerful approach for including correlation effects in electronic structure calculations beyond the GW approximation. However, current implementations are incomplete since they ignore terms that lead to partial…
Excitonic contributions to absorption and photocurrent generation in semiconductor nanostructures are described theoretically and simulated numerically using steady-state non-equilibrium Green's function theory. In a first approach, the…
Koopman operators and transfer operators represent nonlinear dynamics in state space through its induced action on linear spaces of observables and measures, respectively. This framework enables the use of linear operator theory for…
Every invertible, measure-preserving dynamical system induces a Koopman operator, which is a linear, unitary evolution operator acting on the $L^2$ space of observables associated with the invariant measure. Koopman eigenfunctions represent…
We study spectral properties of a non-Hermitian Hamiltonian describing a quantum particle propagating in a random imaginary scalar potential. Cast in the form of an effective field theory, we obtain an analytical expression for the ensemble…
The problem of the microscopic description of excited states of the even-even open-shell atomic nuclei is considered. A model is formulated which allows one to go beyond the quasiparticle random phase approximation. The physical content of…
Using the path-integral formalism, we generalize the 't Hooft-Veltman method of unitary regulators to put forward a framework for finite, alternative quantum theories to a given quantum field theory. Feynman-like rules of such a finite,…
We review some applications of self-consistent Green's function theory to studies of one- and two-nucleon structure in finite nuclei. Large-scale microscopic calculations that employ realistic nuclear forces are now possible. Effects of…
An important problem in many-body physics is to reconstruct the spectral density from the imaginary-time domain Green's function. Typically, the imaginary-time Green's function is generated by Monte Carlo methods. As the one-point fermionic…
We develop a reliable parameter-free analytic continuation method for quantum many-body calculations. Our method is based on a kernel grid, a causal spline, a regularization using the second-derivative roughness penalty, and the L-curve…
For a three-electron system with finite-strength interactions confined to a one-dimensional harmonic trap, we solve the Schroedinger equation analytically to obtain the exact solutions, from which we construct explicitly the simultaneous…
The decay properties of the one-particle Green function in real space and imaginary time are systematically studied for solids. I present an analytic solution for the homogeneous electron gas at finite and at zero temperature as well as…