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Instanton theory is an established method to calculate rate constants of chemical reactions including atom tunneling. Technical and methodological improvements increased its applicability. Still, a large number of energy and gradient…
A degenerate perturbation $k\cdot p$ approach for effective mass calculations is implemented in the all-electron density functional theory (DFT) package WIEN2k. The accuracy is tested on major group IVA, IIIA-VA, and IIB-VIA semiconductor…
In the present article, we show how to formulate the partially contracted n-electron valence second order perturbation theory (NEVPT2) energies in the atomic and active molecular orbital basis by employing the Laplace transformation of…
In this paper, we propose an inexact perturbed path-following algorithm in the framework of Lagrangian dual decomposition for solving large-scale structured convex optimization problems. Unlike the exact versions considered in literature,…
We provide a new paradigm for quantum simulation that is based on path integration that allows quantum speedups to be observed for problems that are more naturally expressed using the path integral formalism rather than the conventional…
In this work we investigate the nonlinear and nonlocal relation between cosmological density and peculiar velocity fields. Our goal is to provide an algorithm for the recon- struction of the nonlinear velocity field from the fully nonlinear…
The evidence of the acceleration of universe at present time has lead to investigate modified theories of gravity and alternative theories of gravity, which are able to explain acceleration from a theoretical viewpoint without the need of…
We introduce a new Lagrangian particle tracking algorithm that tracks particles in three dimensions to separations between trajectories approaching contact. The algorithm also detects low Weber number binary collisions that result in…
A method for finding the renormalization group (RG) improved effective Lagrangian for a massive interacting field theory in curved spacetime is presented. As a particular example, the $\lambda \varphi^4$-theory is considered and the RG…
With increasing demand for accurate calculation of isotope shifts of atomic systems for fundamental and nuclear structure research, an analytic energy derivative approach is presented in the relativistic coupled-cluster theory framework to…
The method of variational completion allows one to transform an (in principle, arbitrary) system of partial differential equations -- based on an intuitive ``educated guess'' -- into the Euler-Lagrange one attached to a Lagrangian, by…
Effective field theories have been successful in describing nuclei up to the alpha particle but face significant challenges for larger nuclei due to leading-order instabilities. These issues can be addressed with the introduction of a fake…
Nuclear processes involving momenta much below the mass of the pion may be described by an effective field theory in which the pions do not appear as explicit degrees of freedom. The effects of the pion and all other virtual hadrons are…
We consider the computation of the entanglement-assisted quantum rate-distortion function, which plays a central role in quantum information theory. We propose an efficient alternating minimization algorithm based on the Lagrangian…
We propose a novel derivation of the gyrokinetic field-particle Lagrangian for non-collisional ion-electron plasmas in a magnetic background with strong variations (maximal ordering). Our approach follows the two-step reduction process,…
Using the basic ingredient of supersymmetry, we develop a simple alternative approach to perturbation theory in one-dimensional non-relativistic quantum mechanics. The formulae for the energy shifts and wave functions do not involve tedious…
Techniques from effective field theory are applied to nuclear rotation. This approach exploits the spontaneous breaking of rotational symmetry and the separation of scale between low-energy Nambu-Goldstone rotational modes and high-energy…
We apply the relativistic chiral Lagrangian to the nuclear equation of state. An effective chiral power expansion scheme, which is constructed to work around nuclear saturation density, is presented. The leading and subleading terms are…
We consider gravitational perturbation around maximally symmetric background of a theory of gravity involving quadratic curvature correction. This leads to a decoupled model of the standard transverse, traceless graviton mode and an…
Uncertainty quantification for deep neural networks has recently evolved through many techniques. In this work, we revisit Laplace approximation, a classical approach for posterior approximation that is computationally attractive. However,…