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Issue 20, 2011
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Implicit numerical schemes for the stochastic Liouville equation in Langevin form

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Abstract

We present and numerically test implicit as well as explicit numerical schemes for solving the Stochastic Liouville Equation in Langevin form. It is found that implicit schemes provide significant gain in robustness, for example, when nonsecular Hamiltonian terms cannot be ignored in electron and nuclear spin resonance. Implicit schemes open up several spectroscopic relaxation problems for direct interpretation using the Stochastic Liouville Equation. To illustrate the proposed numerical schemes, studies are presented for an electron paramagnetic resonance problem involving a coordinated copper complex and a fluorescence problem.

Graphical abstract: Implicit numerical schemes for the stochastic Liouville equation in Langevin form

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Publication details

The article was received on 15 Feb 2011, accepted on 17 Mar 2011 and first published on 18 Apr 2011


Article type: Paper
DOI: 10.1039/C1CP20400A
Citation: Phys. Chem. Chem. Phys., 2011,13, 9578-9589
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    Implicit numerical schemes for the stochastic Liouville equation in Langevin form

    P. Håkansson and P. B. Nair, Phys. Chem. Chem. Phys., 2011, 13, 9578
    DOI: 10.1039/C1CP20400A

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