Related papers: GW method with the self-consistent Sternheimer equ…
Quantum dots connected to larger systems containing a continuum of states like charge reservoirs allow the theoretical study of many-body effects such as the Coulomb blockade and the Kondo effect. Here, we analyze the nonequilibrium Kondo…
We develop a stochastic formulation of the optimally-tuned range-separated hybrid density functional theory which enables significant reduction of the computational effort and scaling of the non-local exchange operator at the price of…
We extend the class of QM problems which permit for quasi-exact solutions. Specifically, we consider planar motion of two interacting charges in a constant uniform magnetic field. While Turbiner and Escobar-Ruiz (2013) addressed the case of…
We present an alternate solution of a Gaussian spin-glass model with infinite ranged interactions and a global spherical constraint at zero magnetic field. The replicated spin-glass Hamiltonian is mapped onto a Coulomb gas of…
We develop a quantum algorithm for estimating the free energy as well as the total Gibbs state of interacting quantum Coulomb gases and molecular systems in dimensions $d \in \{2,3\}$ at finite temperature. These systems lie beyond the…
We study the numerical solution of the non-relativistic Schr\"{o}dinger equation for two-electron atoms in ground and excited S-states using pseudospectral (PS) methods of calculation. The calculation achieves convergence rates for the…
We present an implementation of the GW approximation for the electronic self-energy within the full-potential linearized augmented-plane-wave (FLAPW) method. The algorithm uses an all-electron mixed product basis for the representation of…
We present an efficient implementation of coupled-cluster Green's function (CCGF) method for simulating photoemission spectra of periodic systems. We formulate the periodic CCGF approach with Brillouin zone sampling in Gaussian basis at the…
For the $S$ states of two-electron atoms, we introduce an exact and unique factorization of the internal eigenfunction in terms of a marginal amplitude, which depends functionally on the electron-nucleus distances $r_1$ and $r_2$, and a…
In principle, the electronic Coulomb interaction among the correlated orbitals is frequency-dependent. Though it is generally believed that the dynamically screened interaction may play a crucial role in understanding the subtle electronic…
The Coulomb gauge model of QCD is studied with the introduction of a confining potential into the scalar part of the vector potential. Using a Green function formalism, we derive the self-energy for this model, which has both scalar and…
We present a novel scheme to the coverage problem, introducing a quantitative way to estimate the interaction between a block and its enviroment.This is achieved by setting a discrete version of Green`s theorem, specially adapted for Model…
Semiconductor Bloch equations, which microscopically describe the dynamics of a Coulomb interacting, spin-unpolarized electron-hole plasma, can be solved in two limits: the coherent and the quasi-equilibrium regime. These equations have…
The quantum behavior of charge carriers in semiconductor structures is often described in terms of the effective mass Schr\"{o}dinger equation, neglecting the rapid fluctuations of the wave function on the scale of the atomic lattice. For…
We expand on a recently introduced alternate framework for $GW$ simulation of charged excitations [Scott et. al., J. Chem. Phys., 158, 124102 (2023)], based around the conservation of directly computed spectral moments of the GW…
Relativistic formalism of Green's functions is dicussed in QCD and QED,where the relativistic Green's functions are constructed using the Schwinger proper time formalism and the Fock-Feynman-Schwinger method.As a result a simple and exact…
GW calculations with fully self-consistent G and W -- based on the iterative solution of the Dyson equation -- provide an approach for consistently describing ground and excited states on the same quantum mechanical level. We show that for…
Quantum simulators are controllable quantum systems that can reproduce the dynamics of the system of interest, which are unfeasible for classical computers. Recent developments in quantum technology enable the precise control of individual…
Various many-body perturbation theory techniques for calculating electron behavior rely on {\it W}, the screened Coulomb interaction. Computing {\it W} requires complete knowledge of the dielectric response of the electronic system, and the…
A solution to the Schrodinger equation for the nonrelativistic Green function which is used for describing the heavy quark-antiquark pair production near the threshold in $e^+e^-$ annihilation is presented. A quick comparison with existing…