Sergei Tretiak

Sergei Tretiak received his M.S. degree (with honors) in 1994 from Moscow Institute of Physics and Technology, Russia, and his Ph.D. degree in 1998 from the University of Rochester, where he worked with Professor Shaul Mukamel. Afterwards he worked as a director-funded Postdoctoral Fellow (1999–2001). Subsequently, he has been a Technical Staff Member since 2001 at Los Alamos National Laboratory (LANL). Since 2006, he has been a Member of the DOE-Funded Center for Integrated Nanotechnologies (CINT). His research interests include development of modern computational methods for molecular optical properties; time-dependent density functional theory and semiempirical methods; nonlinear optical response of organic chromophores; adiabatic and nonadiabatic molecular dynamics of the excited states; collective electronic excitations and optical response of confined excitons in conjugated polymers, carbon nanotubes, semiconductor nanoparticles, and molecular aggregates; charge and energy transfer in biological and artificial antenna complexes; ultrafast nonlinear spectroscopy.

Biography Updated on 3 April 2008

Personal Home Page

http://www.t12.lanl.gov/home/serg/homepage.html

Articles in Scholarly Journals [Incomplete List]

  1. Dynamical variational approach to non-adiabatic electronic structure
    Chemical Physics, 2008
  2. Two photon absorption of extended substituted phenylenevinylene oligomers: A TDDFT study
    Chemical Physics Letters, vol. 450, no. 4-6, pp. 322–328, 2008
  3. Multiscale Modeling of Electronic Excitations in Branched Conjugated Molecules Using an Exciton Scattering Approach
    Physical Review Letters, vol. 100, no. 5, 2008
  4. Vibrational spectroscopy of polyatomic materials: Semiempirical calculations of anharmonic couplings and infrared and Raman linewidths in naphthalene and PETN crystals
    Physical Review B, vol. 75, no. 21, 2007
  5. Effect of intramolecular disorder and intermolecular electronic interactions on the electronic structure of poly- p -phenylene vinylene
    Physical Review B, vol. 76, no. 24, 2007
  6. Low-Lying Exciton States Determine the Photophysics of Semiconducting Single Wall Carbon Nanotubes
    Journal of Physical Chemistry C, vol. 111, no. 30, pp. 11139–11149, 2007
  7. Two-Photon Transitions in Quadrupolar and Branched Chromophores: Experiment and Theory
    Journal of Physical Chemistry B, vol. 111, no. 32, pp. 9468–9483, 2007
  8. Nano Letters, vol. 7, no. 1, pp. 86–92, 2007
  9. Nano Letters, vol. 7, no. 1, pp. 108–115, 2007
  10. Triplet State Absorption in Carbon Nanotubes: A TD-DFT Study
    Nano Letters, vol. 7, no. 8, pp. 2201–2206, 2007
  11. Excitonic effects in a time-dependent density functional theory
    The Journal of Chemical Physics, vol. 127, no. 11, p. 114902, 2007
  12. Study of the non-covalent interactions in Langmuir–Blodgett films: An interplay between p-p and dipole–dipole interactions
    Thin Solid Films, vol. 516, no. 1, pp. 58–66, 2007
  13. Excitonic and Vibrational Properties of Single-Walled Semiconducting Carbon Nanotubes
    Advanced Functional Materials, vol. 17, no. 17, pp. 3405–3420, 2007
  14. Excited states and optical response of a donor–acceptor substituted polyene: A TD-DFT study
    Chemical Physics Letters, vol. 433, no. 4-6, pp. 305–311, 2007
  15. Neutral radical molecules ordered in self-assembled monolayer systems for quantum information processing
    Chemical Physics Letters, vol. 436, no. 1-3, pp. 144–149, 2007
  16. Dependence of Spurious Charge-Transfer Excited States on Orbital Exchange in TDDFT: Large Molecules and Clusters
    Journal of Chemical Theory and Computation, vol. 3, no. 3, pp. 976–987, 2007
  17. Type-II Core/Shell CdS/ZnSe Nanocrystals: Synthesis, Electronic Structures, and Spectroscopic Properties
    Journal of the American Chemical Society, vol. 129, no. 38, pp. 11708–11719, 2007
  18. Determination of Exciton-Phonon Coupling Elements in Single-Walled Carbon Nanotubes by Raman Overtone Analysis
    Physical Review Letters, vol. 98, no. 3, 2007
  19. Third and Fourth Optical Transitions in Semiconducting Carbon Nanotubes
    Physical Review Letters, vol. 98, no. 6, 2007
  20. Langmuir, vol. 22, no. 21, pp. 8813–8820, 2006
  21. Real-time observation of nonlinear coherent phonon dynamics in single-walled carbon nanotubes
    Nature Physics, vol. 2, no. 8, Article ID nphys345, 5 pages, 2006
  22. Exciton scattering and localization in branched dendrimeric structures
    Nature Physics, vol. 2, no. 9, Article ID nphys389, 4 pages, 2006
  23. The Journal of Physical Chemistry A, vol. 110, no. 1, pp. 241–251, 2006
  24. The Journal of Physical Chemistry A, vol. 109, no. 13, pp. 3024–3037, 2005
  25. The Journal of Physical Chemistry A, vol. 109, no. 32, pp. 7276–7284, 2005
  26. Exciton sizes of conducting polymers predicted by time-dependent density functional theory
    Physical Review B, vol. 71, no. 3, 2005
  27. Theoretical study of the effects of solvent environment on photophysical properties and electronic structure of paracyclophane chromophores
    The Journal of Chemical Physics, vol. 122, no. 22, p. 224505, 2005
  28. A joint theoretical and experimental study of phenylene?acetylene molecular wires
    Chemical Physics Letters, vol. 401, no. 1-3, pp. 149–156, 2005
  29. Semiclassical Scattering on Conical Intersections
    Physical Review Letters, vol. 95, no. 22, 2005
  30. Calculations of the third-order nonlinear optical responses in push–pull chromophores with a time-dependent density functional theory
    Chemical Physics Letters, vol. 392, no. 4-6, pp. 444–451, 2004
  31. Journal of the American Chemical Society, vol. 126, no. 37, pp. 11529–11542, 2004
  32. Journal of the American Chemical Society, vol. 126, no. 38, pp. 12130–12140, 2004
  33. Three-pulse photon-echo spectroscopy as a probe of the photoexcited electronic state manifold in coupled electron-phonon systems
    Physical Review B, vol. 70, no. 16, 2004
  34. On the existence of photoexcited breathers in conducting polymers
    Physical Review B, vol. 70, no. 23, 2004
  35. The Journal of Physical Chemistry B, vol. 108, no. 3, pp. 899–907, 2004
  36. The Journal of Physical Chemistry B, vol. 108, no. 30, pp. 10625–10630, 2004
  37. Resonant nonlinear polarizabilities in the time-dependent density functional theory
    The Journal of Chemical Physics, vol. 119, no. 17, p. 8809, 2003
  38. Photoexcited breathers in conjugated polyenes: An excited-state molecular dynamics study
    Proceedings of the National Academy of Sciences, vol. 100, no. 5, pp. 2185–2190, 2003
  39. Excited state molecular dynamics simulations of nonlinear push–pull chromophores
    Chemical Physics Letters, vol. 367, no. 3-4, pp. 293–307, 2003
  40. Electron-vibrational relaxation of photoexcited polyfluorenes in the presence of chemical defects: A theoretical study
    Chemical Physics Letters, vol. 372, no. 3-4, pp. 403–408, 2003
  41. Chemical Reviews, vol. 102, no. 9, pp. 3171–3212, 2002
  42. The Journal of Physical Chemistry A, vol. 106, no. 43, pp. 10285–10293, 2002
  43. Geometry Relaxation of Photoexcited States in Conjugated Molecules
    Phase Transitions: A Multinational Journal, vol. 75, no. 7-8, pp. 725–732, 2002
  44. Excitation transfer processes in a phosphor-doped poly(p-phenylene vinylene) light-emitting diode
    Physical Review B, vol. 65, no. 8, 2002
  45. Collective electronic oscillator/semiempirical calculations of static nonlinear polarizabilities in conjugated molecules
    The Journal of Chemical Physics, vol. 115, no. 2, p. 699, 2001
  46. The Journal of Physical Chemistry B, vol. 104, no. 18, pp. 4519–4528, 2000
  47. Krylov-space algorithms for time-dependent Hartree–Fock and density functional computations
    The Journal of Chemical Physics, vol. 113, no. 1, p. 36, 2000
  48. Size Scaling of Third-Order Off-Resonant Polarizabilities. Electronic Coherence in Organic Oligomers
    Journal of the American Chemical Society, vol. 122, no. 3, pp. 452–459, 2000
  49. Journal of the American Chemical Society, vol. 122, no. 7, pp. 1289–1297, 2000
  50. The Journal of Physical Chemistry B, vol. 104, no. 30, pp. 7029–7037, 2000
  51. The Journal of Physical Chemistry B, vol. 104, no. 40, pp. 9540–9553, 2000
  52. Frenkel-exciton Hamiltonian for dendrimeric nanostar
    Journal of Luminescence, vol. 87-89, pp. 115–118, 2000
  53. Femtosecond reaction dynamics of a photochromic dithienylethene derivative
    Journal of Luminescence, vol. 87-89, pp. 742–744, 2000
  54. Electronic versus vibrational optical nonlinearities of push-pull polymers
    Chemical Physics Letters, vol. 319, no. 3-4, pp. 261–264, 2000
  55. CEO/semiempirical calculations of UV–visible spectra in conjugated molecules
    Chemical Physics Letters, vol. 331, no. 5-6, pp. 561–568, 2000
  56. Electronic screening in second order optical polarizabilities of elongated Donor/Acceptor polyenes
    Chemical Physics, vol. 245, no. 1-3, pp. 145–163, 1999
  57. Reaction dynamics of photochromic dithienylethene derivatives
    Chemical Physics, vol. 246, no. 1-3, pp. 115–125, 1999
  58. Ground-state density-matrix algorithm for excited-state adiabatic surfaces: application to polyenes
    Chemical Physics Letters, vol. 302, no. 1-2, pp. 77–84, 1999
  59. Exciton-scaling and optical excitations of self-similar phenylacetylene dendrimers
    The Journal of Chemical Physics, vol. 110, no. 16, p. 8161, 1999
  60. Two-exciton states and spectroscopy of phenylacetylene dendrimers
    The Journal of Chemical Physics, vol. 111, no. 9, p. 4158, 1999
  61. Excitonic couplings and electronic coherence in bridged naphthalene dimers
    Proceedings of the National Academy of Sciences, vol. 96, no. 23, pp. 13003–13008, 1999
  62. The Journal of Physical Chemistry B, vol. 102, no. 18, pp. 3310–3315, 1998
  63. Journal of the American Chemical Society, vol. 120, no. 36, pp. 9188–9204, 1998
  64. Origin, scaling, and saturation of second order polarizabilities in donor/acceptor polyenes
    Chemical Physics Letters, vol. 287, no. 1-2, pp. 75–82, 1998
  65. Real-space analysis of electronic excitations in free-base (H2P) and magnesium (MgP) porphins
    Chemical Physics Letters, vol. 297, no. 5-6, pp. 357–364, 1998
  66. Excited electronic states of carotenoids: Time-dependent density-matrix-response algorithm
    International Journal of Quantum Chemistry, vol. 70, no. 4-5, pp. 711–727, 1998
  67. Journal of the American Chemical Society, vol. 119, no. 47, pp. 11408–11419, 1997
  68. Electronic-oscillator analysis of femtosecond four-wave mixing in conjugated polyenes
    Physical Review B, vol. 55, no. 8, pp. 4960–4977, 1997
  69. Electronic Coherence and Collective Optical Excitations of Conjugated Molecules
    Science, vol. 277, no. 5327, pp. 781–787, 1997
  70. Chemical Bonding and Size Scaling of Nonlinear Polarizabilities of Conjugated Polymers
    Physical Review Letters, vol. 77, no. 22, pp. 4656–4659, 1996
  71. Recursive density-matrix-spectral-moment algorithm for molecular nonlinear polarizabilities
    The Journal of Chemical Physics, vol. 105, no. 19, p. 8914, 1996
  72. Collective electronic oscillators for nonlinear optical response of conjugated molecules
    Chemical Physics Letters, vol. 259, no. 1-2, pp. 55–61, 1996