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We develop a theoretical method for solving the quantum mechanical reactive scattering problem in the presence of external fields based on a hyperspherical coordinate description of the reaction complex combined with the total angular…

Chemical Physics · Physics 2018-07-03 Timur V. Tscherbul , Roman V. Krems

Chemical reactions involve the movement of charges, and this work presents a mathematical model for describing chemical reactions in electrolytes. The model is developed using an energy variational method that aligns with classical…

Chemical Physics · Physics 2023-11-02 Shixin Xu , Robert Eisenberg , Zilong Song , Huaxiong Huang

We present a theory for rigorous quantum scattering calculations of probabilities for chemical reactions of atoms with diatomic molecules in the presence of an external electric field. The approach is based on the fully uncoupled basis set…

Atomic Physics · Physics 2012-02-06 T. V. Tscherbul , R. V. Krems

The control of chemical reactions is a recurring theme in physics and chemistry. Traditionally, chemical reactions have been investigated by tuning thermodynamic parameters, such as temperature or pressure. More recently, physical methods…

Atomic Physics · Physics 2012-09-28 Lothar Ratschbacher , Christoph Zipkes , Carlo Sias , Michael Köhl

The effects of electromagnetic fields (EMF) have been widely debated concerning their role in chemical reactions. Reactions usually took hours or days to complete, and have been shown to happen a thousand times faster using EMF radiations.…

Chemical Physics · Physics 2022-11-30 Kelvin Dsouza , Daryoosh Vashaee

This article reviews the current state of the art in the field of cold and ultracold molecules and demonstrates that chemical reactions, inelastic collisions and dissociation of molecules at subKelvin temperatures can be manipulated with…

Atomic Physics · Physics 2015-06-26 R. V. Krems

Controlling interactions between cold molecules using external fields can elucidate the role of quantum mechanics in molecular collisions. We create a new experimental platform in which ultracold rubidium atoms and cold ammonia molecules…

Atomic Physics · Physics 2011-05-24 L. P. Parazzoli , N. J. Fitch , P. S. Zuchowski , J. M. Hutson , H. J. Lewandowski

It is demonstrated that elastic collisions of ultracold atoms forming a heteronuclear collision complex can be manipulated by laboratory practicable dc electric fields. The mechanism of electric field control is based on the interaction of…

Atomic Physics · Physics 2007-05-23 R. V. Krems

Controllability of chemical reactions is an important problem in chemical engineering science. In control theory, analysis of the controllability of linear systems is well-founded, however the dynamics of chemical reactions is usually…

Optimization and Control · Mathematics 2015-08-14 Dániel András Drexler , János Tóth

The kinetics of chemical reactions are determined by the law of mass action, which has been successfully applied to homogeneous, dilute mixtures. At non-dilute conditions, interactions among the components can give rise to coexisting…

We study the effects of an external electric field on both the motion of the reaction zone and the spatial distribution of the reaction product, $C$, in an irreversible $A^- +B^+ \to C$ reaction-diffusion process. The electrolytes $A\equiv…

Other Condensed Matter · Physics 2009-11-10 I. Bena , F. Coppex , M. Droz , Z. Racz

We study the coupling between conventional (Maxwell) and emergent electrodynamics in quantum spin ice, a 3+1-dimensional $U(1)$ quantum spin liquid. We find that a uniform electric field can be used to tune the properties of both the ground…

Strongly Correlated Electrons · Physics 2017-09-26 Étienne Lantagne-Hurtubise , Subhro Bhattacharjee , Roderich Moessner

We demonstrate fast and accurate control of the evolution of collective atomic coherences in an Erbium doped solid using external electric fields. This is achieved by controlling the inhomogeneous broadening of Erbium ions emitting at 1536…

While it is well established that elevated temperatures can induce surface roughening of metal surfaces, the effect of a high electric field on the atomic structure at ambient temperature has not been investigated in detail. Here we show…

We present a theoretical study of atom - molecule collisions in superimposed electric and magnetic fields and show that dynamics of electronic spin relaxation in molecules at temperatures below 0.5 K can be manipulated by varying the…

Chemical Physics · Physics 2009-11-11 T. V. Tscherbul , R. V. Krems

Chemical reaction rates must increasingly be determined in systems that evolve under the control of external stimuli. In these systems, when a reactant population is induced to cross an energy barrier through forcing from a temporally…

Chemical Physics · Physics 2015-05-01 Galen T. Craven , Thomas Bartsch , Rigoberto Hernandez

We study coherent control in the vicinity of metallic nanostructures. Unlike in the case of control in gas or liquid phase, the collective response of electrons in a metallic nanostructure can significantly enhance different frequency…

Mesoscale and Nanoscale Physics · Physics 2008-08-07 Ilya Grigorenko , Anatoly Efimov

The application of an external, oriented electric field has emerged as an attractive technique for manipulating chemical reactions. Because most applications occur in solution, a theory of electric field catalysis requires treatment of the…

Chemical Physics · Physics 2024-04-03 Sohang Kundu , Timothy C. Berkelbach

We present two approaches for describing chemical reactions taking place in fluid phase. The first method mirrors the usual derivation of the hydrodynamic equations of motion by relating conserved---or to account for chemical reactions,…

High Energy Physics - Theory · Physics 2020-06-25 Michael J. Landry

Physical kinetic roughening processes are well known to exhibit universal scaling of observables that fluctuate in space and time. Are there analogous dynamic scaling laws that are unique to the chemical reaction mechanisms available…

Statistical Mechanics · Physics 2022-11-17 Shrabani Mondal , Jonah S. Greenberg , Jason R. Green
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