Related papers: A flexible multi-reference perturbation theory by …
We derive and assess two new classes of regularizers that cope with offending denominators in the single-reference second-order M{\o}ller-Plesset perturbation theory (MP2). In particular, we discuss the use of two types of orbital energy…
Over the last decade tensor network states (TNS) have emerged as a powerful tool for the study of quantum many body systems. The matrix product states (MPS) are one particular case of TNS and are used for the simulation of 1+1 dimensional…
Multi-configurational approaches yield universal wave function parameterizations that can qualitatively well describe electronic structures along reaction pathways. For quantitative results, multi-reference perturbation theory is required…
We present an algebraic, nondiagrammatic derivation of finite-temperature second-order many-body perturbation theory [FT-MBPT(2)], using techniques and concepts accessible to theoretical chemical physicists. We give explicit expressions not…
We develop a systematic perturbation theory for the Helmholtz free energy of a classical $N$-body system within the mesoscopic framework of~\cite{OsanoMeso,OsanoExtensivity}. The combined coarse-graining operator…
Using a regularization by putting the system in finite volume, we develop a novel approach to form factor perturbation theory for nonintegrable models described as perturbations of integrable ones. This permits to go beyond first order in…
Out-of-equilibrium dynamics of non-integrable Hamiltonian many-body quantum systems are characterized by highly entangled wave functions. Near-maximal entanglement arises in systems exhibiting thermalization or pre-thermalization, where the…
We present calculations of ground state properties of spherical, doubly closed-shell nuclei from $^{16}$O to $^{208}$Pb employing the techniques of many-body perturbation theory using a separable density dependent monopole interaction. The…
This paper derives a finite-strain plate theory consistent with the principle of stationary three-dimensional (3-D) potential energy under general loadings with a third-order error. Staring from the 3-D nonlinear elasticity (with both…
We have obtained the perturbative expressions up to sixth order for the energy of the bound state in a one dimensional, arbitrarily weak, short range finite well, applying a method originally developed by Gat and Rosenstein Ref. [3]. The…
A fundamental weakness of density functional theory (DFT) is the difficulty in making systematic improvements to approximations for the exchange and correlation functionals. In this paper, we follow a wave-function-based approach [N.I.…
Stability of power networks is an increasingly important topic because of the high penetration of renewable distributed generation units. This requires the development of advanced (typically model-based) techniques for the analysis and…
This paper introduces matrix product state (MPS) decomposition as a new and systematic method to compress multidimensional data represented by higher-order tensors. It solves two major bottlenecks in tensor compression: computation and…
A new perturbation theory is proposed for studying finite-size effects near critical point of the $\phi^4$ model with a one-component order parameter. The new approach is based on the techniques of generating functional and functional…
We develop an analytical expression for the self-energy of the infinite-dimensional Hubbard model that is correct in a number of different limits. The approach represents a generalization of the iterative perturbation theory to arbitrary…
We present a general method for simulating lattice gauge theories in low dimensions using infinite matrix product states (iMPS). A central challenge in Hamiltonian formulations of gauge theories is the unbounded local Hilbert space…
A previously proposed non-canonical coupled-perturbed Kohn-Sham density functional theory (KS-DFT)/Hartree-Fock (HF) treatment for spin-orbit coupling is here generalized to infinite periodic systems. The scalar-relativistic periodic…
We present a novel method that appropriately handles both dynamical and static electron correlation in a balanced manner, using a perturbation theory on a spin-extended Hartree-Fock (EHF) wave function reference. While EHF is a suitable…
A simple theory for the leading-order correction g_1(r) to the structure of a hard-sphere liquid with discrete (e.g. square-well) potential perturbations is proposed. The theory makes use of a general approximation that effectively…
A closed form expression for the three-electron Hylleraas integral involving the inverse quadratic power of one inter-particle coordinate is obtained, and recursion relations are derived for positive powers of other coordinates. This result…