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Over the course of the past few decades, the field of computational chemistry has managed to manifest itself as a key complement to more traditional lab-oriented chemistry. This is particularly true in the wake of the recent renaissance of…

Chemical Physics · Physics 2018-10-16 Janus J. Eriksen , Jürgen Gauss

A typical experiment in high energy physics is considered. The result of the experiment is assumed to be a histogram consisting of bins or channels with numbers of corresponding registered events. The expected background and expected signal…

Data Analysis, Statistics and Probability · Physics 2017-01-03 I. B. Smirnov

A comprehensive formalism is developed to preserve the gauge invariance of currents describing the photo- or electroproduction of mesons off the nucleon when the final-state interactions of mesons and nucleons is taken into account…

Nuclear Theory · Physics 2009-11-06 Helmut Haberzettl

The very strong electromagnetic fields present in ultraperipheral relativistic heavy ion collisions lead to important higher order effects of the electromagnetic interaction. These multiphoton exchange processes are studied using…

Nuclear Theory · Physics 2014-11-18 Gerhard Baur , Kai Hencken , Andreas Aste , Dirk Trautmann , Spencer R. Klein

We discuss a new approach to ultrarelativistic heavy-ion collisions based on classical hadrodynamics for extended nucleons, corresponding to nucleons of finite size interacting with massive meson fields. This new theory provides a natural…

Nuclear Theory · Physics 2011-04-20 Brian W. Bush , J. Rayford Nix

This paper presents an alternative approach of analyzing possibly multitype point patterns in space and space-time that occur on network structures, and introduces several different graph-related intensity measures. The proposed formalism…

Applications · Statistics 2017-10-18 Matthias Eckardt , Jorge Mateu

A generalized formalism of the so-called non-adiabatic quantum molecular dynamics is presented, which applies for atomic many-body systems in external laser fields. The theory treats the nuclear dynamics and electronic transitions…

Atomic Physics · Physics 2007-05-23 Thomas Kunert , Ruediger Schmidt

First, we present a concise glossary of formulas for composition of standard, cumulant, factorial, and factorial cumulant moments in superposition (compound) models, where final particles are created via independent emission from a…

Nuclear Theory · Physics 2017-06-28 Wojciech Broniowski , Adam Olszewski

Accurately describing many-body effects in multi-orbital systems remains a major challenge in theoretical condensed matter physics. At present, there is a significant methodological gap between the numerical tools used in ab initio…

Strongly Correlated Electrons · Physics 2025-12-16 Evgeny A. Stepanov

Unitary Coupled Cluster (UCC) theory is a promising variational method for electronic structure calculations, especially for strongly correlated systems and quantum computers. However, its practical application is limited by the steep…

Chemical Physics · Physics 2026-02-05 Prateek Vaish , Brenda Rubenstein

Interference underpins some of the most practical and impactful properties of both the classical and quantum worlds. In this work we experimentally investigate a new formalism to describe interference effects, based on collective states…

Information flow provides a natural measure for the causal interaction between dynamical events. This study extends our previous rigorous formalism of componentwise information flow to the bulk information flow between two complex…

Neurons and Cognition · Quantitative Biology 2021-12-30 X. San Liang

This work presents a first time accurate calculation of the magnetic dipole hyperfine structure constants for the ground state and some low-lying excited states of Pb$^+$. By comparing different levels of approximation with experimental…

Atomic Physics · Physics 2009-11-10 Bijaya K. Sahoo , Rajat K. Chaudhuri , B. P. Das , Holger Merlitz , Debashis Mukherjee

Angular correlations for low-energy neutron induced $\gamma$ reactions are calculated using nuclear reaction formalism for multi level neutron capture with arbitrary multiplicities of $\gamma$ transitions. We confirm previous calculations…

Nuclear Theory · Physics 2025-09-22 Vladimir Gudkov , Hirohiko M. Shimizu

Quantum chemical simulations can be greatly accelerated by constructing machine learning potentials, which is often done using active learning (AL). The usefulness of the constructed potentials is often limited by the high effort required…

Chemical Physics · Physics 2024-09-19 Yi-Fan Hou , Lina Zhang , Quanhao Zhang , Fuchun Ge , Pavlo O. Dral

We present a practical method to generate classical trajectories with fixed initial and final boundary conditions. Our method is based on the minimization of a suitably defined discretized action. The method finds its most natural…

Soft Condensed Matter · Physics 2009-11-07 D. Passerone , M. Parrinello

We apply the retarded/advanced formalism of real time field theory to the QED or QED like case. We obtain a general expression for the imaginary part of the two-point correlation function in terms of discontinuities. The hard loop expansion…

High Energy Physics - Phenomenology · Physics 2007-05-23 P. Aurenche , T. Becherrawy , E. Petitgirard

Electronic correlations beyond static mean-field theories are of fundamental importance in describing the properties of complex materials - such as transition-metal oxides - where the low-energy physics is driven by localized d or f…

Strongly Correlated Electrons · Physics 2025-03-17 Mario Caserta , Tommaso Chiarotti , Marco Vanzini , Nicola Marzari

We investigate effects of strong interactions on the electromagnetic dissociation of nuclei in heavy ion collisions. We start from the eikonal approach to the equivalent photon method to describe the electromagnetic contributions to the…

Nuclear Theory · Physics 2011-07-19 A. Muendel , G. Baur

We argue that statistical data analysis of two-particle longitudinal correlations in ultra-relativistic heavy-ion collisions may be efficiently carried out with the technique of partial covariance. In this method, the spurious…

Nuclear Theory · Physics 2018-10-04 Adam Olszewski , Wojciech Broniowski