نتایج جستجو برای: potential
تعداد نتایج: 1067793 فیلتر نتایج به سال:
The functions of biological macromolecules are inherently linked to their complex conformational behaviour. As a consequence of this complexity, the corresponding potential energy landscapes encompass multiple minima. Some of the intermediate structures between initial and final states can be characterized by experimental techniques. Computer simulations can explore the dynamics of individual s...
We extend some previous results of our work [1] on the error of the averaging method, in the one-frequency case. The new error estimates apply to any separating family of seminorms on the space of the actions; they generalize our previous estimates in terms of the Euclidean norm. For example, one can use the new approach to get separate error estimates for each action coordinate. An application...
Dissociation under ultrashort intense laser fields differs from the process occurring in the presence of a weak field by two main characteristics. In the strong field regime, the force exerted by the laser on the molecule is comparable to the intermolecular forces. In addition, this force is varying on a time scale comparable to that of the molecular vibration. The combination of these two effe...
Reliably decoding neuronal responses requires knowing what aspects of neuronal responses are stimulus related, and which aspects act as noise. Recent work shows that spike trains can be viewed as stochastic samples from the rate variation function, as estimated by the time dependent spike density function (or normalized peristimulus time histogram). Such spike trains are exactly described by or...
A detailed experimental and theoretical study of the femtosecond A-band photodissociation of CH(3)I.
The real time photodissociation dynamics of CH(3)I from the A band has been studied experimentally and theoretically. Femtosecond pump-probe experiments in combination with velocity map imaging have been carried out to measure the reaction times (clocking) of the different (nonadiabatic) channels of this photodissociation reaction yielding ground and spin-orbit excited states of the I fragment ...
We present a combined theoretical and experimental study of ultrafast wave-packet dynamics in the dissociative ionization of H_{2} molecules as a result of irradiation with an extreme-ultraviolet (XUV) pulse followed by an infrared (IR) pulse. In experiments where the duration of both the XUV and IR pulses are shorter than the vibrational period of H_{2};{+}, dephasing and rephasing of the vibr...
Decision taking is discussed in the context of the role it may play for various types of agents, and it is contrasted with action determination. Some remarks are made about the role of decision taking and action determination in the ongoing debate concerning the reverse polder development of the hertogin Hedwige polder.
We study a mechanism by which a symmetry-allowed conical intersection is converted to an avoided crossing by external breaking of symmetry. With full quantum dynamics on coupled ab initio potential energy surfaces for an NO(2) molecule under a phase controlled far-infrared femtosecond pulse field, we demonstrate that symmetry breaking thus-introduced can indeed convert the conical intersection ...
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