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Structure and dynamics of molecule systems in ground and excited electronic states group

 

FIELD OF RESEARCH / THE RESEARCH GROUP’S NAME

Structure and dynamics of molecule systems in ground and excited electronic states

SHORT DESCRIPTION OF RESEARCH

Quantum chemistry field, models for handling the Renner-Teller effect and spin-orbit coupling in small (four- five- and six-) linear atomic molecules. Model Hamiltonian is developed, it considers the interplay between the vibronic and spin–orbit coupling and successfully predicts spectra of e.g. C6+, C6-, NC4N+. The parameters determining the shape of the bending potential energy surfaces are computed by using the MOLPRO and GAUSSIAN program packages. Second order perturbative formulae are derived and used in order to compute the vibronic levels and their spin-orbit shifting.

THE MEMBERS OF RESEARCH GROUP

  • Miljenko Perić, PhD, professor Emeritus, full member of SASA
  • Jelena Radić-Perić, PhD, professor, retired
  • Milena Petković, PhD, associate professor
  • Stanka Jerosimić, PhD, associate professor
  • Mihajlo Etinski, PhD, assistant professor
  • Miroslav Ristić, PhD, assistant professor
  • Radomir Ranković, PhD, assistant professor
  • Milan Milovanović, PhD, teaching assistant
  • Marko Mitić, teching assistant

COOPERATION AND PROJECTS

  • Project 172040: Structure and dynamics of molecule systems in ground and excited electronic states – Ministry of science and education, Republic of Serbia.

SELECTED PUBLICATIONS

  1. R. Ranković, S. Stojadinović, M. Sarvan, B. Kasalica, M. Krmar, J. Radić-Perić, M. Perić, J. Serb. Chem. Soc. 77 (2012) 1483
  2. M. Perić, S. Jerosimić, M. Mitić, M. Milovanović, R. Ranković, „Underlying theory of a model for the Renner-Teller effect in tetra-atomic molecules: X²Πu electronic state of C2H2+”, The Journal of Chemical Physics 142 (2015) 174306.
  3. M. Mitić, R. Ranković, M. Milovanović, S. Jerosimić, M. Perić, „Underlying theory of a model for the Renner-Teller effect in any-atomic molecules on example of the  X²Πu electronic state of C5-”, Chemical Physics 464 (2016) 55.
 
 
 
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