Numerical methods and programming
RUS  ENG    JOURNALS   PEOPLE   ORGANISATIONS   CONFERENCES   SEMINARS   VIDEO LIBRARY   PACKAGE AMSBIB  
General information
Latest issue
Archive

Search papers
Search references

RSS
Latest issue
Current issues
Archive issues
What is RSS



Num. Meth. Prog.:
Year:
Volume:
Issue:
Page:
Find






Personal entry:
Login:
Password:
Save password
Enter
Forgotten password?
Register


Numerical methods and programming, 2017, Volume 18, Issue 3, Pages 284–292 (Mi vmp880)  

Validation of the recrossing-algorithms for the numerical simulations of multichannel electronic transitions to the degenerate states of an acceptor

C. V. Fes'kov

Volgograd State University, Institute of Mathematics and Information Technologies
Abstract: The multichannel electron transfer from the donor compound of a molecular system to a set of the degenerate states of an acceptor is considered within the Zusman-Bixon-Jortner model. An expression for the probability of transition to each of the acceptor states from the delta-localized state on the donor is obtained using the Green's function technique. Correctness of two recrossing-type numerical algorithms is analyzed by comparing the expected frequencies of transitions to different product states with the calculated probabilities. The numerical schemes are tested using the QM2L software package.
Keywords: Brownian simulation, recrossing-algorithm, electron transfer, donor-acceptor systems, nonequilibrium photoreactions.
Funding agency Grant number
Russian Foundation for Basic Research 16-07-01265 А
16-47-340366 р_а
15-43-02027 р_а
Received: 08.07.2017
UDC: 519.63
Language: Russian
Citation: C. V. Fes'kov, “Validation of the recrossing-algorithms for the numerical simulations of multichannel electronic transitions to the degenerate states of an acceptor”, Num. Meth. Prog., 18:3 (2017), 284–292
Citation in format AMSBIB
\Bibitem{Fes17}
\by C.~V.~Fes'kov
\paper Validation of the recrossing-algorithms for the numerical simulations of multichannel electronic transitions to the degenerate states of an acceptor
\jour Num. Meth. Prog.
\yr 2017
\vol 18
\issue 3
\pages 284--292
\mathnet{http://mi.mathnet.ru/vmp880}
Linking options:
  • https://www.mathnet.ru/eng/vmp880
  • https://www.mathnet.ru/eng/vmp/v18/i3/p284
  • Citing articles in Google Scholar: Russian citations, English citations
    Related articles in Google Scholar: Russian articles, English articles
    Numerical methods and programming
     
      Contact us:
     Terms of Use  Registration to the website  Logotypes © Steklov Mathematical Institute RAS, 2025