Multidimensional Spectroscopies

Multi-dimensional Electronic (and vibronic) spectroscopy
bullet T. Ikeda and Y. Tanimura, Low-Temperature Quantum Fokker-Planck and Smoluchowski Equations and Their Extension to Multistate Systems, J. Chem. Theory Comput. 15 (2019). (Error correction)
bullet T. Ikeda, Y. Tanimura, and A. Dijkstra, Modeling and analyzing a photo-driven molecular motor system: Ratchet dynamics and non-linear optical spectra, J. Chem. Phys. 150, 114103 [17 pages] (2019)

　

Two-dimensional Raman spectroscopy
bulletY. Tanimura and S. Mukamel, Two-dimensional femtosecond vibrational spectroscopy of liquids,  J. Chem. Phys. 99, 9496-9511 (1993).
bulletK. Okumura and Y. Tanimura, Femtosecond two-dimensional spectroscopy from anharmonic vibrational modes of molecules in the condensed phase, J. Chem. Phys. 107, 2267-2283 (1997).
bulletM. Cho, K. Okumura, and Y. Tanimura, Coherent two-dimensional Raman scattering: Frequency-domain Measurement of the intra- and intermolecular vibrational interactions, J Chem. Phys. 108, 1326-1334 (1998).
bulletY. Tanimura, Fifth-order two-dimensional vibrational spectroscopy of a Morse potential system in condensed phases, Chem. Phys. 233, 217-229 (1998).
bulletK. Okumura, A. Tokmakoff, and Y. Tanimura, Two-dimensional line shape analysis of photon echo signal. Chem. Phys. Lett. 314, 488-495 (1999).
bulletY. Tanimura and T. Steffen, Two-dimensional spectroscopy for harmonic vibrational modes with nonlinear system-bath interactions: II. Gaussian-Markovian case, J. Phys. Soc. Jpn. 69, 4095-4106 (2000).
bullet J. Jo, H. Ito, and Y. Tanimura, Full molecular dynamics simulations of liquid water and carbon tetrachloride for two-dimensional Raman spectroscopy in the frequency domain  Chem. Phys. 481, 245-249 (2016) (PDF)

Multi-dimensional THz spectroscopy

bulletK. Okumura and Y. Tanimura, Two-dimensional THz spectroscopy of liquids: nonlinear vibrational response to a series of THz laser pulses, Chem. Phys. Lett. 295, 298-304 (1998).
bulletY. Suzuki and Y. Tanimura,  Exploring a free energy landscape by means of multi-dimensional infrared and THz spectroscopies, J. Chem. Phys. 128, 164501 (2008).

Two-dimensional THz-Raman and IR-Raman spectroscopy

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).

Review

bulletY. Tanimura and A. Ishizaki, Modeling, Calculating, and Analyzing Multidimensional Vibrational Spectroscopies, Acc. Chem. Res.  42, 1270 (2009).

Molecular Dynamics Simulation Methods for Multi-dimensional Spectoscopies

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). 
bulletY. L. Li, L. Huang, R. J. Dwayne Miller, T. Hasegawa, and Y. Tanimura, Two-Dimensional Fifth-Order Raman Spectroscopy of Liquid Formamide: Experiment and Theory, J. Chem. Phys. 128, 234507 (15 pages) (2008).
bulletT. Hasegawa and Y. Tanimura, A polarizable water model for intramolecular and intermolecular vibrational spectroscopies, J. Phys. Chem. B 115, 5545-5553 (2011).

Analyzing Multi-dimensional spectra by means of Molecular Dynamics simulation

bulletY. Nagata and Y. Tanimura, Two-dimensional Raman spectrum of atomic solid and liquid,  J. Chem. Phys. 124, 024508 (2006).
bulletY. Nagata, T. Hasegawa and Y. Tanimura, Analyzing atomic liquids and solids by means of two-dimensional Raman spectra in frequency domain, J. Chem. Phys. 124, 194504 (2006).
bulletY. Nagata, Y. Tanimura and S. Mukamel, Two-dimensional Infrared Surface Spectroscopy of CO on Cu(100); Probing Intermolecular Coupling of Adsorbates,  J. Chem. Phys. 126, 204703 (2007).
bulletY. L. Li, L. Huang, R. J. Dwayne Miller, T. Hasegawa, and Y. Tanimura, Two-Dimensional Fifth-Order Raman Spectroscopy of Liquid Formamide: Experiment and Theory, J. Chem. Phys. 128, 234507 (15 pages) (2008).
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).

Homogeneity and inhomogeneity

bulletY. Tanimura and S. Mukamel, Two-dimensional femtosecond vibrational spectroscopy of liquids, J. Chem. Phys. 99, 9496-9511 (1993).
bullet S. Palese, J. T. Buontempo, L. Schilling, W. T. Lotshaw, Y. Tanimura, S. Mukamel, R. J. D. Miller, Femtosecond Two-dimensional Raman Spectroscopy of Liquid Water, J. Phys. Chem. 98, 12466-12470 (1994).
bulletY. Tanimura and S. Mukamel, Nuclear Dynamics of Liquids; possible probe by 2D femtosecond off-resonant spectroscopy, Femtosecond Reaction Dynamics, Ed. by D. A. Wiersma,157-168 (North-Holland, 1994). pdf file (911k).
bulletS. Palese, J. T. Buontempo, Y. Tanimura, S. Mukamel, R. J. D. Miller and W. T. Lotshaw, Femtosecond Two-Dimensional Raman Spectroscopy of Liquid Water, Ultrafast Phenomena IX, Proceedings of the 9th international conference, ed. by P. F. Barbara, W. H. Knox, G. A. Mourou, and A. H. Zewail, 107-108 (Springer-Verlag, Berlin 1994). pdf file (219k)
bulletY. Tanimura, The 5th- and 7th-order 2D Raman spectroscopy for intramolecular vibrational modes, pp144-153, Proc. of Two-Dimensional Correlation Spectroscopy, ed. by Y. Ozaki (American Institute of Physics, 2000).pdf file
bulletT. Steffen and Y. Tanimura, Two-dimensional spectroscopy for harmonic vibrational modes with nonlinear system-bath interactions: I. Gaussian-white case, J. Phys. Soc. Jpn. 69, 3115-3132 (2000).
bullet Y. Tanimura and T. Steffen, Two-dimensional spectroscopy for harmonic vibrational modes with nonlinear system-bath interactions: II. Gaussian-Markovian case, J. Phys. Soc. Jpn. 69, 4095-4106 (2000).
bulletT. Kato and Y. Tanimura, Vibrational spectroscopy of a harmonic oscillator system nonlinearly coupled to a heat bath, J. Chem. Phys. 117, 6221-6234(2002).
bulletT. Kato and Y. Tanimura, Two-dimensional Raman and infrared vibrational spectroscopy for a harmonic oscillator system nonlinearly coupled with a colored noise bath,, J. Chem. Phys. 120, 260-271 (2004).

Anharmonicity, nonlinear polarizability 

bulletK. Okumura and Y. Tanimura, Unified time-path approach to the effect of anharmonicity on the molecular vibrational spectroscopy in solution, J. Chem. Phys. 105, 7294-7309 (1996).
bulletK. Okumura and Y. Tanimura, The (2n+1)th-order off-resonant spectroscopy from the (n+1)th-order anharmonicites for molecular vibrational modes in the condensed phase, J. Chem. Phys.106,1687-1698 (1997).
bulletK. Okumura and Y. Tanimura, Femtosecond two-dimensional spectroscopy from anharmonic vibrational modes of molecules in the condensed phase, J. Chem. Phys. 107, 2267-2283 (1997).
bulletK. Okumura and Y. Tanimura, Interplay of Inhomogeneity and Anharmonicity in 2D Raman Spectroscopy of Liquids, Chem. Phys. Lett., 277, 159-166. (1997).
bulletY. Tanimura, Fifth-order two-dimensional vibrational spectroscopy of a Morse potential system in condensed phases, Chem. Phys. 233, 217-229 (1998).
bulletA. Ishizaki and Y. Tanimura, Modeling vibrational dephasing and energy relaxation processes of intermolecular anharmonic modes for multidimensional infrared spectroscopies, J. Chem. Phys. 125, 084501 (2006).
bulletA. Ishizaki and Y. Tanimura, Dynamics of Multimode System Coupled to Multiple Heat Baths Probed by Two-Dimensional Infrared Spectroscopy, J. Phys. Chem. A, 111, 9296-9276 (2007).

Frequency domain measurement

bulletM. Cho, K. Okumura, and Y. Tanimura, Coherent two-dimensional Raman scattering: Frequency-domain Measurement of the intra- and intermolecular vibrational interactions, J Chem. Phys. 108, 1326-1334 (1998).

Chemical Reactions

bulletO. Khün and Y. Tanimura, Two-dimensional vibrational spectroscopy of a double minimum system in a dissipative environment, J. Chem. Phys. 119, 2155- 2164 (2003).
bulletA.Ishizaki and Y. Tanimura, Multidimensional vibrational spectroscopy for tunneling processes in a dissipative environment,   J. Chem. Phys. 123, 14503 (2005)

Frequency modulation models

bulletT. Steffen and Y. Tanimura, Two-dimensional spectroscopy for harmonic vibrational modes with nonlinear system-bath interactions: I. Gaussian-white case, J. Phys. Soc. Jpn. 69, 3115-3132 (2000).
bullet Y. Tanimura and T. Steffen, Two-dimensional spectroscopy for harmonic vibrational modes with nonlinear system-bath interactions: II. Gaussian-Markovian case, J. Phys. Soc. Jpn. 69, 4095-4106 (2000).
bulletT. Kato and Y. Tanimura, Vibrational spectroscopy of a harmonic oscillator system nonlinearly coupled to a heat bath, J. Chem. Phys. 117, 6221-6234(2002).
bulletT. Kato and Y. Tanimura, Two-dimensional Raman and infrared vibrational spectroscopy for a harmonic oscillator system nonlinearly coupled with a colored noise bath, J. Chem. Phys. 120, 260-271 (2004).
bulletA. Ishizaki and Y. Tanimura, Modeling vibrational dephasing and energy relaxation processes of intermolecular anharmonic modes for multidimensional infrared spectroscopies, J. Chem. Phys. 125, 084501 (2006).
bulletA. Ishizaki and Y. Tanimura, Dynamics of Multimode System Coupled to Multiple Heat Baths Probed by Two-Dimensional Infrared Spectroscopy, J. Phys. Chem. A, 111, 9296-9276 (2007).
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)

Mode-mode coupling mechanism

bulletK. Okumura and Y. Tanimura, Sensitivity of two-dimensional fifth-order Raman response to the mechanism of vibrational mode-mode coupling in liquid molecules, Chem. Phys. Lett. 278, 175-183 (1997).
bulletK. Okumura, A. Tokmakoff, and Y. Tanimura, Structural information from two-dimensional fifth-order Raman spectroscopy, J. Chem. Phys. 111, 492-503(1999).
bulletK. Okumura, D. M. Jonas, and Tanimura, Two-dimensional spectroscopy and the harmonically coupled anharmonic oscillators, Chem. Phys. 266, 237-250 (2001).
bullet KIM, H.-D.  and Y. Tanimura, Multi-dimensional Infrared spectroscopy for molecular vibrational modes with dipolar interactions, anharmonicity and nonlinearity of dipole moments and polarizability elements, J. Chem. Phys. 123, 224310 [20pages] (2005).
bullet A. Ishizaki and Y. Tanimura, Dynamics of Multimode System Coupled to Multiple Heat Baths Probed by Two-Dimensional Infrared Spectroscopy, J. Phys. Chem. A, 111, 9296-9276 (2007).
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).
bullet　

2D Rotator
bulletY. Suzuki and Y. Tanimura, Two-dimensional spectroscopy for two-dimensional rotator coupled to a Gaussian-Markovian noise bath,  J. Chem. Phys. 119, 1650-1660 (2003).

Wave Packet Dynamics

bulletY. Suzuki and Y. Tanimura, Nonequilibrium initial conditions of a Brownian oscillator system observed by two-dimensional spectroscopy, J. Chem. Phys, 115, 2267-2281 (2001).
bulletY. Suzuki and Y. Tanimura, Dynamical Stokes shift observed by two-dimensional Raman spectroscopy, pp329-332, Proc. of Two-Dimensional Correlation Spectroscopy, ed. by Y. Ozaki (American Institute of Physics, 2000).pdf file
bulletY. Suzuki and Y. Tanimura, Probing a colored-noise induced peak of a strongly damped Brownian system by one- and two-dimensional spectroscopy, Chem. Phys. Lett., 358, 51-56 (2002).
bulletO. Khün and Y. Tanimura, Two-dimensional vibrational spectroscopy of a double minimum system in a dissipative environment, J. Chem. Phys. 119, 2155- 2164 (2003).

Other topics

bullet T. Kato and Y. Tanimura, Multi-dimensional vibrational spectroscopy measured from different phase-matching conditions, Chem. Phys. Lett, 341, 329-337 (2001).
bullet Y. Nagata and Y. Tanimura, Two-dimensional Raman spectrum of atomic solid and liquid,  J. Chem. Phys. 124, 024508-1 - 024508-9 (2006) .
bulletY. Tanimura, The 5th- and 7th-order 2D Raman spectroscopy for intramolecular vibrational modes, pp144-153, Proc. of Two-Dimensional Correlation Spectroscopy, ed. by Y. Ozaki (American Institute of Physics, 2000).pdf file
bulletK. Okumura, Y. Tanimura and A. Tokmakoff, Information from Two-dimensional fifth-order Raman spectroscopy: Anhramonicity, nonlinearity, mode coupling, and molecular structure, pp. 321-324, Proc. of Two-Dimensional Correlation Spectroscopy, ed. by Y. Ozaki (American Institute of Physics, 2000). pdf file.
bulletY. Suzuki and Y. Tanimura,  Exploring a free energy landscape by means of multi-dimensional infrared and THz spectroscopies, J. Chem. Phys. 128, 164501 (2008).
bulletA. Ishizaki and Y. Tanimura, Nonperturbative-NonMarkovian Quantum Master Equation Approach: Validity and Limitation to Calculate Nonlinear Response Functions, Chem. Phys. 347, 185 (2008).

Related papers

bulletK. Okumura and Y. Tanimura, Two-time correlation functions of a harmonic system nonbilinearly coupled to a heat bath: the spontaneous Raman spectroscopy, Phys. Rev. E. 56, 2747-2750 (1997).
bulletY. Tanimura and K. Okumura, First-, third-, and fifth-order resonant spectroscopy of anharmonic displaced oscillators system in the condensed phase, J. Chem. Phys.106, 2078-2095 (1997).
bulletK. Okumura and Y. Tanimura, Two-dimensional THz spectroscopy of liquids: nonlinear vibrational response to a series of THz laser pulses, Chem. Phys. Lett. 295, 298-304 (1998).
bulletK. Okumura and Y. Tanimura, Energy-level diagrams and their contribution to fifth-order Raman and second-order infrared responses: Description between relaxation mechanisms by two-dimensional spectroscopy,  J. Phys. Chem. 107, 8092-8105 (2003).
bulletKIM, H.-D., Y. Tanimura, and M. Cho, Ultrafast Exciton-Exciton Coherence Transfer in Molecular Aggregates and its Application to Light Harvesting Systems  J. Chem. Phys. 127, 075101 (2007).
bullet Y. Tanimura, Stochastic Liouville, Langevin, Fokker-Planck, and master equation approaches to quantum dissipative systems, J. Phys. Soc. Jpn.  75, 082001 (2006).