Semiclassical dynamics of multidimensional systems and initial value representations

• Grant number: 11/20065-4
• Support Opportunities: Scholarships in Brazil - Doctorate
• Start date: February 01, 2012
• End date: February 29, 2016
• Field of knowledge: Physical Sciences and Mathematics - Physics - General Physics
• Principal Investigator: Marcus Aloizio Martinez de Aguiar
• Grantee: Adriano Grigolo
• Host Institution: Instituto de Física Gleb Wataghin (IFGW). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
• Associated scholarship(s): 13/00145-9 - The coupled coherent states method: generalization and numerical applications, BE.EP.DR

Abstract

The time evolution of quantum systems will be studied from a semiclassical perspective by means of integral formulas known as initial value representations (IVRs). In this kind of formula, independent classical trajectories, each of which obeying the dynamics dictated by a classicalized version of the corresponding quantum Hamiltonian, are combined so as to produce a semiclassical approximation to the system's propagator. We are primarly interested in IVRs formulated in the coherent state representation. Our goal is to combine a set of recently developed techniques (especially semiclassical hybrid dynamics and the series representation of the IVR propagator) within the context of complex trajectory based IVR methods, employing a generalized coherent state formalism. The project is directed towards the study of multidimensional systems, such as inelastic scattering and system-bath interactions, where we intend to test the efficiency and validity of each approach. In particular, we wish to investigate how the chaotic character of the underlying classical dynamics of a given system reflects itself in the semiclassically evaluated wavefunctions.

Scientific publications

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

GRIGOLO, ADRIANO; VISCONDI, THIAGO F.; DE AGUIAR, MARCUS A. M.. Multiconfigurational quantum propagation with trajectory-guided generalized coherent states. Journal of Chemical Physics, v. 144, n. 9, MAR 7 2016. (12/20452-0, 11/20065-4, 14/04036-2, 08/09491-9)

Academic Publications

(References retrieved automatically from State of São Paulo Research Institutions)

GRIGOLO, Adriano. Dinâmica quântica multiconfiguracional guiada por trajetórias com estados coerentes generalizados. 2017. Doctoral Thesis - Universidade Estadual de Campinas (UNICAMP). Instituto de Física Gleb Wataghin Campinas, SP.