arXiv subjects

J. M. Bofill

Publications and source records attributed to J. M. Bofill.

3 recordsLinked to original sources

arXiv2020

Quantum Zermelo problem for general energy resource bounds

A solution to the quantum Zermelo problem for control Hamiltonians with general energy resource bounds is provided. Interestingly, the energy resource of the control Hamiltonian and the control time define a pair of conjugate variables that minimize the energy-time uncertainty relation. The resulting control protocol is applied to a single qubit as well as to a two-interacting qubit system represented by a Heisenberg spin dimer. For these low-dimensional systems, it is found that physically realizable control Hamiltonians exist only for certain, quantized, energy resources.

quant-ph↗

arXiv2009

Understanding chemical reactions within a generalized Hamilton-Jacobi framework

Reaction paths and classical and quantum trajectories are studied within a generalized Hamilton-Jacobi framework, which allows to put on equal footing topology and dynamics in chemical reactivity problems. In doing so, we show how high-dimensional problems could be dealt with by means of Caratheodory plots or how trajectory-based quantum-classical analyses reveal unexpected discrepancies. As a working model, we consider the reaction dynamics associated with a Mueller-Brown potential energy surface, where we focus on the relationship between reaction paths and trajectories as well as on reaction probability calculations from classical and quantum trajectories.

quant-ph↗

arXiv2009

Time-Dependent Density Functional Theory from a Bohmian Perspective

This article has been published as a chapter in "Chemical Reactivity Theory: A Density Functional View", ed. P. K. Chattaraj (CRC Press, New York, 2009), ch. 8, p. 105. In it, an overview of the relationship between time-dependent DFT and quantum hydrodynamics is presented, showing the role that Bohmian mechanics can play within the ab-initio methodology as both a numerical and an interpretative tool.

quant-ph↗