Related papers: Renormalized Second-order Perturbation Theory for …
Second-order Moller-Plesset perturbation theory (MP2) for ab initio simulations of solids is often limited by divergence or over-correlation issues, particularly in metallic, narrow-gap, and dispersion-stabilized systems. We develop and…
The charge-transfer (CT) together with the polarization energy appears at second and higher orders in symmetry-adapted perturbation theory (SAPT). At present there is no theoretically compelling way of isolating the charge-transfer energy…
We show that, in the high-density limit, restricted M{\o}ller-Plesset (RMP) perturbation theory yields $E_{\text{RMP}}^{(2)} = \pi^{-2}(1-\ln 2) \ln r_s + O(r_s^0)$ for the correlation energy per electron in the uniform electron gas, where…
We predict a new electron pair-tunneling (PT) resonance in non-linear transport through quantum dots with positive charging energies exceeding the broadening due to thermal and quantum fluctuations. The PT resonance shows up in the…
The functional renormalization group (FRG) provides a flexible tool to study correlations in low-dimensional electronic systems. In this paper, we present a novel FRG approach to the steady-state of quantum wires out of thermal equilibrium.…
The strongly-contracted variant of second order N -electron valence state perturbation theory (NEVPT2) is an efficient perturbative method to treat dynamic correlation without the problems of intruder states or level shifts, while the…
Numerical renormalization group (NRG) is formulated for nonequilibrium steady-state by converting finite-lattice many-body eigenstates into scattering states. Extension of the full-density-matrix NRG for a biased Anderson impurity model,…
The ring-diagram partial summation (or RPA) for the ground-state energy of the uniform electron gas (with the density parameter $r_s$) in its weak-correlation limit $r_s\to 0 $ is revisited. It is studied, which treatment of the self-energy…
Ryabinkin-Kohut-Staroverov (RKS) theory builds a bridge between wave function theory and density functional theory by using quantities from the former to produce accurate exchange-correlation potentials needed by the latter. In this work,…
Motivated by neutral excitations in disordered electronic materials and systems of trapped ultracold particles with long-range interactions, we study energy-level statistics of quasiparticles with the power-law hopping Hamiltonian $\propto…
We present a self-consistent approach for computing the correlated quasiparticle spectrum of charged excitations in iterative $\mathcal{O}[N^5]$ computational time. This is based on the auxiliary second-order Green's function approach [O.…
A comprehensive and detailed account is presented for the finite-temperature many-body perturbation theory for electrons that expands in power series all thermodynamic functions on an equal footing. Algebraic recursions in the style of the…
We report a new implementation of multireference algebraic diagrammatic construction theory (MR-ADC) for simulations of electron attachment and ionization in strongly correlated molecular systems (EA/IP-MR-ADC). Following our recent work on…
We explore different variants of the random phase approximation (RPA) to the correlation energy derived from closed-shell ring-diagram approximations to coupled cluster doubles theory. We implement these variants in range-separated…
The second random-phase-approximation model corrected by a subtraction procedure designed to cure double counting, instabilities, and ultraviolet divergences, is employed for the first time to analyze the dipole strength and polarizability…
We study the electron-electron interaction contribution to the conductivity of two-dimensional In$_{0.2}$Ga$_{0.8}$As electron systems in the diffusion regime over the wide conductivity range, $\sigma\simeq(1-150) G_0$, where…
We derive analytic energy gradients of the driven similarity renormalization group (DSRG) multireference second-order perturbation theory (MRPT2) using the method of Lagrange multipliers. In the Lagrangian, we impose constraints for a…
The renormalization group (RG) is known to provide information about radiative corrections beyond the order in perturbation theory to which one has calculated explicitly. We first demonstrate the effect of the renormalization scheme used on…
We distinguish two extreme classes of perturbation problems depending on the signs of second-order energy corrections and argue why it is generally much more probable to obtain a negative value of the same for any state in the standard…
With a transcorrelated Hamiltonian, we perform a many body perturbation (MBPT) calculation on the uniform electron gas in the high density regime. By using a correlation factor optimised for a single determinant Jastrow ansatz, the second…