Photochromism

Heller, Carl A.; Fine, Dwight A.; Henry, Ronald A.

doi:10.1021/j100827a511

Cited by 121 publications

(180 citation statements)

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“…5,13,15 As in the paper by Engel and Schinke 13 we analyze the dynamics of the Franck-Condon wave packet using the ͑semi-͒ classical Wigner method. 15,17,[19][20][21] The Wigner method allows us to describe the time evolution of a system in terms of a swarm of trajectories following an exact sampling of the initial quantum state. Of course, such a description is not always accurate, but previous work 13 suggests that the Wigner approach can give a quite accurate description of the branching ratio for the reaction in Eq.…”

Section: ͑1͒mentioning

confidence: 99%

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Isotope effects in the photofragmentation of symmetric molecules: The branching ratio of OD∕OH in water

Henriksen

Møller

Engel

2005

The Journal of Chemical Physics

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With HOD initially in its vibrational ground state, we present a new detailed interpretation of the OD∕OH branching ratio (∼3) in the photoinduced process D+OH←HOD→H+OD, in the first absorption band. Using semiclassical arguments, we show that the branching ratio has little to do with the initial distribution of configurations, but the initial momentum distribution plays a key role in determination of the branching ratio. The formation of D+OH arises from initial situations where OD is stretching, and it stretches faster than OH, whereas all other motions lead to H+OD. This picture is confirmed by quantum wave-packet calculations.

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Section: ͑1͒mentioning

confidence: 99%

“…19 the time-evolution of each phase space point is given by Hamilton's equations. The potentialenergy surface V ͑r OH , r OD ͒ has been calculated by ab initio methods, and an analytical fit has been constructed.…”

Section: Theorymentioning

confidence: 99%

Isotope effects in the photofragmentation of symmetric molecules: The branching ratio of OD∕OH in water

Henriksen

Møller

Engel

2005

The Journal of Chemical Physics

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“…This limit has been already addressed by other authors (Heller, 1976(Heller, , 1977Berry, 1977) and here we give only the modifications due to the gauge invariance and appearance of an energy variable. A different approach was taken by Bund (1995).…”

Section: Kinetic and Canonical Momenta In The Wigner Representationmentioning

confidence: 78%

A Wigner Quasi-distribution Function for Charged Particles in Classical Electromagnetic Fields

Levanda¹,

Fleurov²

2001

Annals of Physics

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A gauge-invariant Wigner quasi-distribution function for charged particles in classical electromagnetic fields is derived in a rigorous way. Its relation to the axial gauge is discussed, as well as the relation between the kinetic and canonical momenta in the Wigner representation. Gauge-invariant quantum analogs of Hamilton-Jacobi and Boltzmann kinetic equations are formulated for arbitrary classical electromagnetic fields in terms of the 'slashed' derivatives and momenta, introduced for this purpose. The kinetic meaning of these slashed quantities is discussed. We introduce gaugeinvariant conditional moments and use them to derive a kinetic momentum continuity equation. This equation provides us with a hydrodynamic representation for quantum transport processes and a definition of the 'collision force'. The hydrodynamic equation is applied for the rotation part of the electron motion. The theory is illustrated by its application in three examples. These are: Wigner quasi-distribution function and equations for an electron in a magnetic field and harmonic potential; Wigner quasi-distribution function for a charged particle in periodic systems using the kq representation; two Wigner quasi-distribution functions for heavy-mass polaron in an electric field.

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“…To study the quantum-to-classical transition, it is instrumental to put both mechanics on the same mathematical footing [24,25,28,31,[38][39][40][41][42][43][44][45]. This is achieved by the Wigner quasi-probability distribution W (x, p) [46], which is a phase-space representation of the density operatorρ.…”

Section: Introductionmentioning

confidence: 99%

Dirac open-quantum-system dynamics: Formulations and simulations

Cabrera¹,

Campos²,

Bondar³

et al. 2016

Phys. Rev. A

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We present an open system interaction formalism for the Dirac equation. Overcoming a complexity bottleneck of alternative formulations, our framework enables efficient numerical simulations (utilizing a typical desktop) of relativistic dynamics within the von Neumann density matrix and Wigner phase space descriptions. Employing these instruments, we gain important insights into the effect of quantum dephasing for relativistic systems in many branches of physics. In particular, the conditions for robustness of Majorana spinors against dephasing are established. Using the Klein paradox and tunneling as examples, we show that quantum dephasing does not suppress negative energy particle generation. Hence, the Klein dynamics is also robust to dephasing.

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Photochromism

Cited by 121 publications

References 0 publications

Isotope effects in the photofragmentation of symmetric molecules: The branching ratio of OD∕OH in water

Isotope effects in the photofragmentation of symmetric molecules: The branching ratio of OD∕OH in water

A Wigner Quasi-distribution Function for Charged Particles in Classical Electromagnetic Fields

Dirac open-quantum-system dynamics: Formulations and simulations

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