2D Vib. Spectroscopy nonlinear optics Chemical Reaction Q. Thermodynamics Frustrated systems Organic conductors HEOM Path Integrals Molecular Dynamics Stochastic Theory Monte Carlo quantum chemistry

Multidimensional spectroscopy

bulletDeveloping the basic theories of higher-order off-resonant Raman spectroscopies.
bulletAnalysis of inhomogeneity, anharmonisity, nonlinear polarizability by 2D spectroscopies
bulletMode coupling mechanism of molecules in condensed phase
bullet2D spectroscopy of Brownian model with frequency modulation

Representative references

bulletY. Tanimura and S. Mukamel, Two-dimensional femtosecond vibrational spectroscopy of liquids,  J. Chem. Phys. 99, 9496-9511 (1993).
bulletT. Hasegawa and Y. Tanimura, Calculating fifth-order Raman signals for various molecular liquids by equilibrium and nonequilibrium hybrid MD simulation algorism, J Chem. Phys. 125, 074512 (2006).
bulletT. Hasegawa and Y. Tanimura, Nonequilibrium molecular dynamics simulations with a backward-forward trajectories sampling for multidimensional infrared spectroscopy,  J. Chem. Phys. 128, 064511 (2008).
bulletA. Sakurai and Y. Tanimura, Does hbar play a role in multidimensional spectroscopy? Reduced hierarchy equations of motion approach to molecular vibrations, J. Phys. Chem. A 115, 4009-4022 (2011) Error correction)
bulletT. Hasegawa and Y. Tanimura, A polarizable water model for intramolecular and intermolecular vibrational spectroscopies, J. Phys. Chem. B 115, 5545-5553 (2011).
bullet H. Ito, T. Hasegawa, and Y. Tanimura, Calculating two-dimensional THz-Raman-THz and Raman-THz-THz signals for various molecular liquids: The samplers, J. Chem. Phys. 141, 124503 [11 pages] (2014). (PDF) [Open Access]
bulletT. Ikeda, H. Ito, and Y. Tanimura, Analysis of 2D THz-Raman spectroscopy using a non-Markovian Brownian oscillator model with nonlinear system-bath interactions, J. Chem. Phys. 142, 212421 [15 pages] (2015).
bulletH. Ito, J. Jo, and Y. Tanimura, Notes on simulating 2D Raman and THz-Raman signals with a full molecular dynamics simulation approach,  Struct. Dyn. 2,  054102 [21 pages] (2015).

Lecture Note

bulletLecture note on the theory of multidimensional vibrational spectroscopy  (Zip file, May 19 2019)
bulletLecture note on the theory of multidimensional electronic spectroscopy  (Zip file, May 19 2019)

Complete list of the related subject

Switch to Japanese

horizontal rule