Trajectory-based methods for ultrafast quantum dynamics
Dr. Lidice Cruz Rodriguez
University of Warwick
The generation of high-order harmonics by a strong laser pulse [1] and the subsequent development of extremely short laser pulses of only a few attoseconds (1 attosecond = 10−18s) [2] have enabled us to follow the electronic dynamics in real time, giving birth to what is known today as attosecond physics. If we neglect nuclear motion, the dynamics of an atom or molecule exposed to a high-intensity laser pulse is determined by solving the time-dependent Schrödinger equation, which describes the time evolution of the electronic wave function. The methods to perform exact quantum calculations are in continuous development. Typically, those methods are based on spatial grids, basis sets of functions or discrete variable representations [3,4,5], and their computational cost increases exponentially with the dimensionality of the system, limiting the number of degrees of freedom we can include in the dynamics. As an alternative to overcome this complexity, the development of trajectory-based methods for quantum dynamics is an active area of research. In this talk, I am going to present an overview of different trajectory-based approaches for quantum dynamics, from Bohmian mechanics to path integral approaches to model laser-driven time-dependent electron dynamics [6-8].
References:
[1] M. Ferray et al., Journal of Physics B: Atomic, Molecular and Optical Physics 21 (3) (1988).
[2] M Hentschel et al., Nature 414 (6863), 509-513 (2001).
[3] M. H. Beck et al., Physics Report 324, 1 (2000).
[4] C. Cerjan, Numerical grid methods and their application to Schrodinger’s equation, Springer Science & Business Media, 412 (1993).
[5] J. C. Light and T. Carrington Jr, Advances in Chemical Physics, 114, 263-301 (2000).
University of Warwick
The generation of high-order harmonics by a strong laser pulse [1] and the subsequent development of extremely short laser pulses of only a few attoseconds (1 attosecond = 10−18s) [2] have enabled us to follow the electronic dynamics in real time, giving birth to what is known today as attosecond physics. If we neglect nuclear motion, the dynamics of an atom or molecule exposed to a high-intensity laser pulse is determined by solving the time-dependent Schrödinger equation, which describes the time evolution of the electronic wave function. The methods to perform exact quantum calculations are in continuous development. Typically, those methods are based on spatial grids, basis sets of functions or discrete variable representations [3,4,5], and their computational cost increases exponentially with the dimensionality of the system, limiting the number of degrees of freedom we can include in the dynamics. As an alternative to overcome this complexity, the development of trajectory-based methods for quantum dynamics is an active area of research. In this talk, I am going to present an overview of different trajectory-based approaches for quantum dynamics, from Bohmian mechanics to path integral approaches to model laser-driven time-dependent electron dynamics [6-8].
References:
[1] M. Ferray et al., Journal of Physics B: Atomic, Molecular and Optical Physics 21 (3) (1988).
[2] M Hentschel et al., Nature 414 (6863), 509-513 (2001).
[3] M. H. Beck et al., Physics Report 324, 1 (2000).
[4] C. Cerjan, Numerical grid methods and their application to Schrodinger’s equation, Springer Science & Business Media, 412 (1993).
[5] J. C. Light and T. Carrington Jr, Advances in Chemical Physics, 114, 263-301 (2000).
