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We report the results of quantum scattering calculations for the O($^3$P)+H$_2$ reaction for a range of collision energies from 0.4 to 4.4 eV, important for astrophysical and atmospheric processes. The total and state-to-state reactive…

Chemical Physics · Physics 2015-06-22 Marko Gacesa , Vasili Kharchenko

Akin to the traditional quasi-classical trajectory method for investigating the dynamics on a single adiabatic potential energy surface for an elementary chemical reaction, we carry out the dynamics on a 2-state ab initio potential energy…

Transition State Theory forms the basis of computing reaction rates in chemical and other systems. Recently it has been shown how transition state theory can rigorously be realized in phase space using an explicit algorithm. The…

Chaotic Dynamics · Physics 2010-07-27 Roman Schubert , Holger Waalkens , Arseni Goussev , Stephen Wiggins

A general method of quantum-to-classical reduction of quantum dynamics is described. The key aspect of our method is the similarity transformation of the Liouvillian, which provides a new perspective. In conventional studies of quantum…

Statistical Mechanics · Physics 2015-04-09 Norikazu Kamiya

We study the back-reaction of quantum systems onto classical ones. Taking the starting point that semi-classical physics should be described at all times by a point in classical phase space and a quantum state in Hilbert space, we consider…

Quantum Physics · Physics 2024-12-18 Isaac Layton , Jonathan Oppenheim , Zachary Weller-Davies

Recently, the phenomenon of quantum-classical correspondence breakdown was uncovered in optomechanics, where in the classical regime the system exhibits chaos but in the corresponding quantum regime the motion is regular - there appears to…

Quantum Physics · Physics 2017-01-03 Guanglei Wang , Ying-Cheng Lai , Celso Grebogi

The understanding of how classical dynamics can emerge in closed quantum systems is a problem of fundamental importance. Remarkably, while classical behavior usually arises from coupling to thermal fluctuations or random spectral noise, it…

Quantum Gases · Physics 2013-05-09 Bryce Gadway , Jeremy Reeves , Ludwig Krinner , Dominik Schneble

A new micro-irreversible 3D theory of quantum multichannel scattering in the three-body system is developed. The quantum approach is constructed on the generating trajectory tubes which allow taking into account influence of classical…

Quantum Physics · Physics 2007-05-23 Ashot S. Gevorkyan , Alexander V. Bogdanov , Gunnar Nyman

We report a quantum mechanical method for calculating the momentum distributions of constituent atoms of polyatomic molecules in rotational-vibrational eigenstates. Application of the present theory to triatomic molecules in the…

Chemical Physics · Physics 2024-06-10 Sota Sakaguchi , Yasuhiro Ohshima , Masakazu Yamazaki

The present paper is the companion of [1] in which we proposed a scheme that tries to derive the Quantum Field Theory (QFT) on Curved Spacetimes (CST) limit from background independent Quantum General Relativity (QGR). The constructions of…

General Relativity and Quantum Cosmology · Physics 2014-11-17 Hanno Sahlmann , Thomas Thiemann

We study the decay of survival probability at quantum phase transitions (QPT). The semiclassical theory is found applicable in the vicinities of critical points with infinite degeneracy. The theory predicts a power law decay of the survival…

Quantum Physics · Physics 2015-05-13 Wen-ge Wang , Pinquan Qin , Lewei He , Ping Wang

Based on shortcuts to adiabaticity and quantum Zeno dynamics, we present a protocol to implement quantum state transfer (QST) in a quantum spin-1/2 chain. In the protocol, the complex Hamiltonian of an $N$-site system is simplified, and a…

Quantum Physics · Physics 2018-02-14 Bi-Hua Huang , Yi-Hao Kang , Ye-Hong Chen , Zhi-Cheng Shi , Jie Song , Yan Xia

The quantum ratchet effect in fully chaotic systems is approached by studying, for the first time, \emph{statistical} properties of the ratchet current over well-defined sets of initial states. Natural initial states in a semiclassical…

Chaotic Dynamics · Physics 2010-03-16 Itzhack Dana

Classical transition state theory (TST) is the cornerstone of reaction rate theory. It postulates a partition of phase space into reactant and product regions, which are separated by a dividing surface that reactive trajectories must cross.…

Statistical Mechanics · Physics 2007-05-23 Thomas Bartsch , Rigoberto Hernandez , T. Uzer

We present a quantum-classical hybrid algorithm that simulates electronic structures of periodic systems such as ground states and quasiparticle band structures. By extending the unitary coupled cluster (UCC) theory to describe crystals in…

Quantum Physics · Physics 2022-02-16 Nobuyuki Yoshioka , Takeshi Sato , Yuya O. Nakagawa , Yu-ya Ohnishi , Wataru Mizukami

Quantum decision theory (QDT) is a recently developed theory of decision making based on the mathematics of Hilbert spaces, a framework known in physics for its application to quantum mechanics. This framework formalizes the concept of…

Physics and Society · Physics 2016-12-28 M. Favre , A. Wittwer , H. R. Heinimann , V. I. Yukalov , D. Sornette

Quantum Key Distribution (QKD) is a cutting-edge field that leverages the principles of quantum mechanics to enable secure communication between parties involved. Single-photon quantum emitters offer remarkable on-demand photon emission,…

Quantum Physics · Physics 2025-07-01 Paolo Barigelli , Francesco Sirovich , Gonzalo Carvacho , Fabio Sciarrino

We employ quantum circuit learning to simulate quantum field theories (QFTs). Typically, when simulating QFTs with quantum computers, we encounter significant challenges due to the technical limitations of quantum devices when implementing…

High Energy Physics - Theory · Physics 2025-04-08 Kazuki Ikeda

We formulate a general method for the study of semiclassical-like dynamics in stable regions of a mixed phase-space, in order to theoretically study the dynamics of quantum accelerator modes. In the simplest case, this involves determining…

Atomic Physics · Physics 2007-05-23 R. Bach , K. Burnett , M. B. d'Arcy , S. A. Gardiner

We present a formalism for cold and ultracold atom-diatom chemical reactions that combines a quantum close-coupling method at short-range with quantum defect theory at long-range. The method yields full state-to-state rovibrationally…

Atomic Physics · Physics 2015-06-23 Jisha Hazra , Brandon P. Ruzic , John L. Bohn , N. Balakrishnan