Related papers: One-Step Relativistic Driven Similarity Renormaliz…
We present an implementation and analysis of a stochastic high performance algorithm to calculate the correlation energy of three dimensional periodic systems in second-order M{\o}ller-Plesset perturbation theory (MP2). In particular we…
We present a stochastic approach to perform strongly contracted n-electron valence state perturbation theory (SC-NEVPT), which only requires one- and two-body reduced density matrices, without introducing approximations. We use this method…
Expanding and improving the repertoire of numerical methods for studying quantum lattice models is an ongoing focus in many-body physics. While the density matrix renormalization group (DMRG) has been established as a practically useful…
The $\Delta$NO two-electron density matrix (2-RDM) and energy expression are derived from a multideterminantal wave function. The approximate $\Delta$NO 2-RDM is combined with an on-top density functional and a double-counting correction to…
We present an efficient stochastic algorithm for the recently introduced perturbative density matrix renormalization group (p-DMRG) method for large active spaces. The stochastic implementation bypasses the computational bottleneck involved…
Modified dispersion relations (MDRs) and noncommutative geometries are phenomenological models of Planck-scale corrections to relativistic kinematics, motivated by several approaches to quantum gravity. High-energy astrophysical…
We present an extension of our one-body M{\o}ller-Plesset second-order perturbation (OBMP2) method for open-shell systems. We derived the OBMP2 Hamiltonian through the canonical transformation followed by the cumulant approximation to…
We present an implementation and benchmark of new approximations in multireference algebraic diagrammatic construction theory for simulations of neutral electronic excitations and UV/Vis spectra of strongly correlated molecular systems…
In this study, the higher-order tensor renormalization group (HOTRG) method is applied to a lattice glass model that has local constraints on the occupation number of neighboring particles represented by many-body interactions. This model…
We present an approach to renormalized second-order Green's function perturbation theory (GF2) which avoids all dependency on continuous variables, grids or explicit Green's functions, and is instead formulated entirely in terms of static…
Short-range correlations (SRCs) provide the link between low- and high-energy nuclear physics and can be quantified by two-nucleon densities. We present calculations of the two-nucleon densities using free-space similarity renormalization…
A new scheme of first-principles computation for strongly correlated electron systems is proposed. This scheme starts from the local-density approximation (LDA) at high-energy band structure, while the low-energy effective Hamiltonian is…
We present a unified framework for the renormalisation of the Hamiltonian and eigenbasis of a system of correlated electrons, unveiling thereby the interplay between electronic correlations and many-particle entanglement. For this, we…
We present a pedagogical discussion of Similarity Renormalization Group (SRG) methods, in particular the In-Medium SRG (IMSRG) approach for solving the nuclear many-body problem. These methods use continuous unitary transformations to…
In this paper, we analyze the numerical aspects of the inherently multi-reference density matrix renormalization group (DMRG) calculations on top of the periodic Kohn-Sham density functional theory (DFT) using the complete active space…
The application of Wilson's Numerical Renormalization Group (NRG) method to dissipative quantum impurity models, in particular the sub-ohmic spin-boson model, has led to conclusions regarding the quantum critical behavior which are in…
The density matrix renormalization group (DMRG) method generates the low-energy states of linear systems of $N$ sites with a few degrees of freedom at each site by starting with a small system and adding sites step by step while keeping…
We use a strong-disorder renormalization group (SDRG) method and ground-state quantum Monte Carlo (QMC) simulations to study S=1/2 spin chains with random couplings, calculating disorder-averaged spin and dimer correlations. The QMC…
The time-dependent numerical renormalization-group approach (TD-NRG), originally devised for tracking the real-time dynamics of quantum-impurity systems following a single quantum quench, is extended to multiple switching events. This…
A new computational framework for spinor-based relativistic exact two-component (X2C) calculations is developed using contracted basis sets with a spin-orbit contraction scheme. Generally contracted j-adapted basis sets using primitive…