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Related papers: The Born-Oppenheimer approximation in an effective…

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In our previous paper [J. Chem.Phys. {\bf 137}, 22A544 (2012)] we argued that the Born-Oppenheimer approximation could not be based on an exact transformation of the molecular Schr\"{o}dinger equation. In this Comment we suggest that the…

Quantum Physics · Physics 2015-06-18 Brian T Sutcliffe , R Guy Woolley

We develop an approach to QCD evolution based on the sequential Born-Oppenheimer approximations that include higher and higher frequency modes as the evolution parameter is increased. This Born-Oppenheimer renormalization group is a general…

High Energy Physics - Phenomenology · Physics 2024-12-09 Haowu Duan , Alex Kovner , Michael Lublinsky

We use QCD kinetic theory to compute photon production in the chemically equilibrating Quark-Gluon Plasma created in the early stages of high-energy heavy-ion collisions. We do a detailed comparison of pre-equilibrium photon rates to the…

High Energy Physics - Phenomenology · Physics 2024-04-04 Oscar Garcia-Montero , Aleksas Mazeliauskas , Philip Plaschke , Sören Schlichting

In pre-Born-Oppenheimer (pre-BO) theory a molecule is considered as a quantum system as a whole, including the electrons and the atomic nuclei on the same footing. This approach is fundamentally different from the traditional quantum…

Chemical Physics · Physics 2019-02-20 Edit Matyus

Laser-induced molecular alignment is well understood within the framework of the Born-Oppenheimer (BO) approximation Without the BO approximation, however, the concept of molecular structure is lost, making alignment hard to define…

Chemical Physics · Physics 2022-09-16 Ludwik Adamowicz , Simen Kvaal , Caroline Lasser , Thomas Bondo Pedersen

An alternative method is introduced to solve a simple two-dimensional models describing vibrational excitation and dissociation processes during the electron-molecule collisions. The model works with one electronic and one nuclear degree of…

Chemical Physics · Physics 2018-12-19 Roman Čurík , Dávid Hvizdoš , Chris H. Greene

The Born-Oppenheimer (BO) approximation is less accurate in the presence of a strong magnetic field than in the absence of a field. This is due to the complicated and unpredictable response of electronic structure to the field, especially…

Chemical Physics · Physics 2023-03-29 Tanner Culpitt , Laurens D. M. Peters , Erik I. Tellgren , Trygve Helgaker

An effective action technique for the time evolution of a closed system consisting of one or more mean fields interacting with their quantum fluctuations is presented. By marrying large $N$ expansion methods to the Schwinger-Keldysh closed…

High Energy Physics - Phenomenology · Physics 2008-11-26 Fred Cooper , Salman Habib , Yuval Kluger , Emil Mottola , Juan Pablo Paz , Paul R. Anderson

In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of…

We develop a formalism to accurately account for the renormalization of electronic structure due to quantum and thermal nuclear motions within the Born-Oppenheimer approximation. We focus on the fundamental energy gap obtained from…

Materials Science · Physics 2021-02-03 Vitaly Gorelov , David M. Ceperley , Markus Holzmann , Carlo Pierleoni

Based on the quantum trajectory approach, we extend the Born-Oppenheimer (BO) approximation from closed quantum system to open quantum system, where the open quantum system is described by a master equation in Lindblad form. The BO…

Quantum Physics · Physics 2010-05-25 X. L. Huang , S. L. Wu , L. C. Wang , X. X. Yi

A comprehensive theoretical understanding of electron-photon correlation is essential for describing the reshaping of molecular orbitals in quantum electrodynamics (QED) environments. The strong coupling QED Hartree-Fock (SC-QED-HF) theory…

Chemical Physics · Physics 2024-09-04 Yassir El Moutaoukal , Rosario R. Riso , Matteo Castagnola , Henrik Koch

A new application of quantum field theory is developed that gives a description of the internal dynamics of dressed elementary particles and predicts their masses. The fermionic and bosonic quantum fields are treated as interdependent…

General Physics · Physics 2012-08-28 J. M. Greben

We use QCD kinetic theory to compute photon production in the chemically equilibrating Quark-Gluon Plasma created in the early stages of high-energy heavy-ion collisions. We show that the photon spectrum radiated from an attractor evolution…

High Energy Physics - Phenomenology · Physics 2023-12-19 Oscar Garcia-Montero , Aleksas Mazeliauskas , Philip Plaschke , Sören Schlichting

We present a detailed derivation and discussion of cavity Born-Oppenheimer coupled cluster (CBO-CC) theory and address cavity-modified electron correlation in the vibrational strong coupling regime. Methodologically, we combine the recently…

Chemical Physics · Physics 2025-12-02 Eric W. Fischer

We combine the recently developed many-body Green's function theory for electrons and nuclei with the exact factorization of the wave function. The existing Born-Oppenheimer Green's functions are shown to be special cases of our exact…

Other Condensed Matter · Physics 2022-11-23 Ville J. Härkönen

Starting from nonequilibrium quantum field theory on a closed time path, we derive kinetic equations for the strong-field regime of quantum electrodynamics (QED) using a systematic expansion in the gauge coupling $e$. The strong field…

High Energy Physics - Phenomenology · Physics 2021-09-01 Gregor Fauth , Jürgen Berges , Antonino Di Piazza

The rapid progress in quantum-optical experiments especially in the field of cavity quantum electrodynamics and nanoplasmonics, allows to substantially modify and control chemical and physical properties of atoms, molecules and solids by…

Chemical Physics · Physics 2022-01-24 Davis M. Welakuh , Johannes Flick , Michael Ruggenthaler , Heiko Appel , Angel Rubio

Simulations of chemical dynamics are a powerful means for understanding chemistry. However, classical computers struggle to simulate many chemical processes, especially non-adiabatic ones, where the Born-Oppenheimer approximation breaks…

We present a derivation of a Boltzmann equation for the QCD plasma, starting from the quantum field equations. The derivation is based on a gauge covariant gradient expansion which takes consistently into account all possible dependences on…

High Energy Physics - Phenomenology · Physics 2009-10-31 Jean-Paul Blaizot , Edmond Iancu