A new approximate method for the calculation of quantum time correlation functions is derived. The new theory combines the linearized path integral approach and the mapping Hamiltonian formulation so that time correlation functions can be calculated for systems in which non-adiabatic electronic transitions are important.
Linearized time-dependent non-adiabatic quantum correlation functions / Bonella, Sara; David, Coker. - In: COMPUTER PHYSICS COMMUNICATIONS. - ISSN 0010-4655. - 169:1-3(2005), pp. 267-273. [10.1016/j.cpc.2005.03.061]
Linearized time-dependent non-adiabatic quantum correlation functions
BONELLA, SARA;
2005
Abstract
A new approximate method for the calculation of quantum time correlation functions is derived. The new theory combines the linearized path integral approach and the mapping Hamiltonian formulation so that time correlation functions can be calculated for systems in which non-adiabatic electronic transitions are important.File allegati a questo prodotto
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