Related papers: Driven similarity renormalization group: Third-ord…
During the past 15 years, the density matrix renormalization group (DMRG) has become increasingly important for ab initio quantum chemistry. The underlying matrix product state (MPS) ansatz is a low-rank decomposition of the full…
Over the past decade the in-medium similarity renormalization group (IMSRG) approach has proven to be a powerful and versatile ab initio many-body method for studying medium-mass nuclei. So far, the IMSRG was limited to the approximation in…
This study examines several techniques to improve the efficiency of the linearized multireference driven similarity renormalization group truncated to one- and two-body operators [MR-LDSRG(2)]. We propose a sequential MR-LDSRG(2)…
We first derive the Rayleigh-Schr\"odinger many-body perturbation theory up to third order (RSPT3) for Hamiltonians with three-body interaction. The structure of closed-shell nuclei in a wide mass range from 4He to 48Ca has been…
The quantum chemical version of the density matrix renormalization group (DMRG) method has established itself as one of the methods of choice for calculations of strongly correlated molecular systems. Despite its great ability to capture…
We present a second-order N-electron valence state perturbation theory (NEVPT2) based on a density matrix renormalization group (DMRG) reference wave function that exploits a Cholesky decomposition of the two-electron repulsion integrals…
We apply the renormalization group optimized perturbation theory (RGOPT)to evaluate the QCD (matter) pressure at the two-loop level considering three flavors of massless quarks in a dense and cold medium. Already at leading order…
UGA-SSMRPT2, the spin-free perturbative analogue of Mukerjee's State-Specific Multireference Coupled Cluster Theory (MkMRCC) is known to be successful for size-extensive and intruder-free construction of dissociation curves. This work…
The non-perturbative {\it ab initio} calculations of infinite nuclear matter using In-Medium Similarity Renormalization Group (IMSRG) method is developed in this work, which enables calculations with chiral two and three-nucleon forces at…
The recent development of the density matrix renormalization group (DMRG) method in multireference quantum chemistry makes it practical to evaluate static correlation in a large active space, while dynamic correlation provides a critical…
The density matrix renormalization group (DMRG) is applied to some one-dimensional reaction-diffusion models in the vicinity of and at their critical point. The stochastic time evolution for these models is given in terms of a non-symmetric…
We develop and test methods that include second and third-order perturbation theory (MP3) using orbitals obtained from regularized orbital-optimized second-order perturbation theory, $\kappa$-OOMP2, denoted as MP3:$\kappa$-OOMP2. Testing…
We present an efficient implementation of the Density Matrix Renormalization Group (DMRG) algorithm that includes an optimal ordering of the proton and neutron orbitals and an efficient expansion of the active space utilizing various…
The Density Matrix Renormalization Group (DMRG) is a state-of-the-art numerical technique for a one dimensional quantum many-body system; but calculating accurate results for a system with Periodic Boundary Condition (PBC) from the…
We explore the application of the nonperturbative functional renormalization group (NPFRG) within its most common approximation scheme based on truncations of the derivative expansion, to the $Z_2$-symmetric scalar $\varphi^4$ theory as the…
Efficiently recovering dynamic correlation in strongly correlated systems without incurring prohibitive computational costs remains a central challenge in quantum chemistry. In this Perspective, we review and benchmark methods capable of…
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…
Simulating strongly correlated systems in two dimensions is notoriously challenging due to rapid entanglement growth and frustration. Here, we introduce the adaptive projected-purified pseudoboson density-matrix renormalization group…
The density matrix renormalization group (DMRG) method introduced by White for the study of strongly interacting electron systems is reviewed; the method is variational and considers a system of localized electrons as the union of two…
In the last decade, the quantum chemical version of the density matrix renormalization group (DMRG) method has established itself as the method of choice for calculations of strongly correlated molecular systems. Despite its favourable…