Computation of correlation functions and wave function projections in the context of quantum trajectory dynamics.

نویسنده

  • Sophya Garashchuk
چکیده

The de Broglie-Bohm formulation of the Schrodinger equation implies conservation of the wave function probability density associated with each quantum trajectory in closed systems. This conservation property greatly simplifies numerical implementations of the quantum trajectory dynamics and increases its accuracy. The reconstruction of a wave function, however, becomes expensive or inaccurate as it requires fitting or interpolation procedures. In this paper we present a method of computing wave packet correlation functions and wave function projections, which typically contain all the desired information about dynamics, without the full knowledge of the wave function by making quadratic expansions of the wave function phase and amplitude near each trajectory similar to expansions used in semiclassical methods. Computation of the quantities of interest in this procedure is linear with respect to the number of trajectories. The introduced approximations are consistent with approximate quantum potential dynamics method. The projection technique is applied to model chemical systems and to the H+H(2) exchange reaction in three dimensions.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Finite temperature correlation function of two dissipative massive scalar fields: Thermofield approach

The present paper aims at investigating the manner of two dissipative massive scalar fields. Two massive scalar fields that interact with a reservoir were considered and a reservoir was modeled by continuum Klein-Gordon fields. The Lagrangian of the total system was canonically quantized and the dynamics of the system was determined using the Euler-Lagrange equation. Then, the explicit form of the...

متن کامل

Quantum-Classical Nonadiabatic Dynamics: Coupled- vs Independent-Trajectory Methods.

Trajectory-based mixed quantum-classical approaches to coupled electron-nuclear dynamics suffer from well-studied problems such as the lack of (or incorrect account for) decoherence in the trajectory surface hopping method and the inability of reproducing the spatial splitting of a nuclear wave packet in Ehrenfest-like dynamics. In the context of electronic nonadiabatic processes, these problem...

متن کامل

Quantum initial value representations using approximate Bohmian trajectories

Quantum trajectories, originating from the de Broglie-Bohm (dBB) hydrodynamic description of quantum mechanics, are used to construct time-correlation functions in an initial value representation (IVR). The formulation is fully quantum mechanical and the resulting equations for the correlation functions are similar in form to their semi-classical analogs but do not require the computation of th...

متن کامل

ترکش گلوئون به چارمونیوم برداری J/psi با در نظر گرفتن اثر تابع موج مزون

Studying the production or decay processes of heavy quarkonia (the bound state of heavy quark-antiquark) is a powerful tool to test our understanding of strong interaction dynamics and QCD theory. Fragmentation is the dominant production mechanism for heavy quarkonia with large transverse momentum. The fragmentation refers to the production process of a parton with high transverse momentum whic...

متن کامل

Quantum trajectory dynamics in imaginary time with the momentum-dependent quantum potential.

The quantum trajectory dynamics is extended to the wave function evolution in imaginary time. For a nodeless wave function a simple exponential form leads to the classical-like equations of motion of trajectories, representing the wave function, in the presence of the momentum-dependent quantum potential in addition to the external potential. For a Gaussian wave function this quantum potential ...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:
  • The Journal of chemical physics

دوره 126 15  شماره 

صفحات  -

تاریخ انتشار 2007