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Fully understanding a chemical reaction on the quantum level is a long-standing goal in physics and chemistry. Experimental investigation of such state-to-state chemistry requires both the preparation of the reactants and the detection of…

Through the development of many-body methodology and algorithms, it has become possible to describe quantum systems composed of a large number of particles with great accuracy. Essential to all these methods is the application of auxiliary…

Nuclear Theory · Physics 2018-04-18 Christopher Körber , Evan Berkowitz , Thomas Luu

Here we summarize how the LIT and CC methods can be coupled, in order to allow for ab initio calculations of reactions in medium mass nuclei. Results on 16O are reviewed and preliminary calculations on 40Ca are presented.

Computing reaction rates in biomolecular systems is a common goal of molecular dynamics simulations. The reactions considered often involve conformational changes in the molecule, either changes in the structure of a protein or the relative…

Dynamical Systems · Mathematics 2013-07-03 Eric Darve , Ernest Ryu

In the study of rare events in complex systems with many degrees of freedom, a key element is to identify the reaction coordinates of a given process. Over recent years, a number of methods and protocols have been developed to extract the…

Chemical Physics · Physics 2015-10-27 Wenjin Li , Ao Ma

This paper provides unified calculations regarding certain measures and transformations in interacting particle systems. More specifically, we provide certain general conditions under which an interacting particle system will have a…

Probability · Mathematics 2024-09-20 Jeffrey Kuan

Recent papers by Kievsky, Viviani, and Rosati are commented. It is pointed out that the techniques for treatment few-body reactions and bound states in the framework of the hyperspherical approach presented in those papers as original ones…

Nuclear Theory · Physics 2007-05-23 V. D. Efros

A new method is developed for solving the conformally invariant integrals that arise in conformal field theories with a boundary. The presence of a boundary makes previous techniques for theories without a boundary less suitable. The method…

High Energy Physics - Theory · Physics 2009-10-28 David M. McAvity

We investigate a method to extract response functions (dynamical polarisabilities) directly from a bound-state approach applied to calculations of perturbation-induced reactions. The use of a square-integrable basis leads to a response in…

A new method for studying the many-body response functions is elaborated and first applied to the $^3$He longitudinal response. An integral transform of the response function is calculated from the bound-state-type equations for several…

Nuclear Theory · Physics 2007-05-23 V. Yu. Dobretsov , V. D. Efros , Bin Shao

We develop a theoretical method within the framework of relativistic many-body theory to accurately treat correlation corrections in atoms with few valence electrons. This method combines the all-order approach currently used in precision…

Atomic Physics · Physics 2009-09-01 M. S. Safronova , M. G. Kozlov , W. R. Johnson , Dansha Jiang

Uncertainty quantification has become increasingly more prominent in nuclear physics over the past several years. In few-body reaction theory, there are four main sources that contribute to the uncertainties in the calculated observables:…

Nuclear Theory · Physics 2020-12-17 A. E. Lovell , F. M. Nunes , M. Catacora-Rios , G. B. King

The method of integral transforms is first applied for studying the $^3$He longitudinal response functions. The transforms are calculated from localized bound-state-type solutions to an inhomogenous Schr\"odinger-type three-body equation.…

Nuclear Theory · Physics 2009-09-25 V. Yu. Dobretsov , V. D. Efros , Bin Shao

Ring-polymer instanton theory has been developed to simulate the quantum dynamics of molecular systems at low temperatures. Chemical reaction rates can be obtained by locating the dominant tunneling pathway and analyzing fluctuations around…

Chemical Physics · Physics 2019-03-25 Pierre Winter , Jeremy O. Richardson

Absorbing-boundary-condition method and its applications to nuclear responses and breakup reactions are reported. The method facilitates calculations of the continuum states in the coordinate space of many degrees of freedom. Properties of…

Nuclear Theory · Physics 2017-08-23 Takashi Nakatsukasa , Manabu Ueda , Kazuhiro Yabana

This white paper reports on the discussions of the 2018 Facility for Rare Isotope Beams Theory Alliance (FRIB-TA) topical program "From bound states to the continuum: Connecting bound state calculations with scattering and reaction theory".…

We present a method derived from Laplace transform theory that enables the evaluation of fractional integrals. This method is adapted and extended in a variety of ways to demonstrate its utility in deriving alternative representations for…

Classical Analysis and ODEs · Mathematics 2009-09-25 M. Lawrence Glasser , Victor Kowalenko

We provide a simple approach for the evaluation of inverse integral transforms that does not require any knowledge of complex analysis. The central idea behind the method is to reduce the inverse transform to the solution of an ordinary…

Physics Education · Physics 2015-05-30 Aaron Farrell , Brandon P. van Zyl , Zachary MacDonald

We study the existence of segregated solutions to a class of reaction-diffusion systems with strong interactions, arising in many physical applications. These special solutions are obtained as weak limits of minimizers of a family of…

Analysis of PDEs · Mathematics 2020-04-29 Alessandro Audrito , Enrico Serra , Paolo Tilli

Compound-nuclear processes play an important role for nuclear physics applications and are crucial for our understanding of the nuclear many-body problem. Despite intensive interest in this area, some of the available theoretical…

Nuclear Theory · Physics 2015-06-19 Brett V. Carlson , Jutta E. Escher , Mahir S. Hussein