Kungl. Tekniska Högskolan Royal Institute of Technology
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List of PhD theses

PhD theses from our group can be found on this page: >> link to list of PhD theses >>

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The publications are currently ordered by title, yearwise. Click on the publication title to get more information about it.

1. Symmetry breaking in core-valence double photoionization of SO2
J. Niskanen, E. Andersson, J. H. D. Eland, P. Linusson, L. Hedin, L. Karlsson, R. Feifel and O. Vahtras
Phys. Rev. A 85, 023408 (2012) DOI: 10.1103/PhysRevA.85.023408
2. Laser-launched evanescent surface plasmon polariton field utilized as a direct coherent pumping source to generate emitted nonlinear four-wave mixing radiation,
Q. Zhang, K. Lin and Y. Luo
Optics Express, 19 (2011) 4991.		 
3. Photoisomerization mechanism of 4-methylpyridine explored by electronic structure calculations and nonadiabatic dynamics simulations
J. Cao, Q. Fang and W.-H. Fang
J. Chem. Phys., 134 (2011) 044307		 
4. Time-resolved detection enables standard two-photon fluorescence microscopy for in vivo label-free imaging of microvasculature in tissue,
D. Li, W. Zheng, W. Zhang, S. K. Teh, Y. Zeng, Y. Luo and J. Y. Qu ,
Opt. Lett., 36 (2011) 2638.		 
5. Two-photon excited hemoglobin fluorescence
W. Zheng, D. Li, Y. Zeng, Y. Luo and J. Y. Qu
Biomed. Opt. Express 2 (2011) 71		 
6. Two-photon excited hemoglobin fluorescence provides contrast mechanism for label-free imaging of microvasculature in vivo
D. Li, W. Zheng, Y. Zeng, Y. Luo and J. Y. Qu ,
Optics Letters, 36 (2011) 834.		 
7. Multifocus Structures of Ultrashort Self-Focusing Laser Beam Observed in a Three-Photon Fluorescent Medium
G.S. He, A.P. Chang, H.Y. Qin, Q. Zheng, P.N. Prasad, S. He and H. Ågren
IEEE J. of Quant. Electr., 45, 816 (2009).		 
8. Optical limiting and pulse reshaping of picosecond pulse trains by fullerene C60
Y.-P. Sun, S. Gavrilyuk, J.-C. Liu, C.-K. Wang, H. Ågren and F. Gel'mukhanov
J. Electron Spectrosc. Relat. Phenom., 174 (2009) 125 DOI: 10.1016/j.elspec.2009.03.010
9. Optical limiting for microsecond pulses
S. Gavrilyuk，J. C. Liu, K. Kamada, H. Å gren and F. Gel'mukhanov
J. Chem. Phys. 130, 054114 (2009) DOI: 10.1063/1.3072560
Attached: JCP_130_054114_2009.pdf
10. Stabilizing single-molecular Raman spectrum of a nonbonding molecule on Ag nanoparticles
Z. Luo, Y. Luo, J. Li, K. Liu, H. Fu, Y. Ma and J.N. Yao
Chem. Commun., 2009, 1342 - 1344 DOI: 10.1039/b819402e
11. Two and Three photon absorption of organic ionic pyrylium based materials
P.C. Jha, Y. Luo, I. Polyzos, P. Persephonis and H. Ågren ,
J. Chem. Phys. 130, 174312 (2009)		 
12. Ab initio study of the one- and two-photon circular dichroism of R-(+)-3-methyl-cyclopentanone
A. Rizzo, N. Lin and K. Ruud
J. Chem. Phys. 128, 164312 (2008)		 
13. A critical examination of two-photon absorption cross-sections of some reference dyes.
Jha, P. C., Wang, Y. and Ågren , H
ChemPhysChem, 9, 111(2008)		 
14. One and two photon absorption in asymmetrically substituted free-base porphyrins:A density functional theory study
P.C. Jha, B. Minaev and H. Ågren
J Chem Phys. 128, 074302 (2008)		 
15. Two-Photon Absorption of Hydrogen Bonded Octupolar Molecule Clusters
K. Liu, Y.-H. Wang, Y.Q. Tu, H. Ågren and Y. Luo
J. Phys. Chem. B, 112 (2008) 4387.		 
16. Vibronically resolved electronic circular dichroism spectra of R-(+)-3-methyl-cyclopentanone: A theoretical study
N. Lin, F. Santoro, X. Zhao, A. Rizzo and V. Barone
J. Phys. Chem. A 112 (2008) 12401		 
17. Aggregation Effect on Two-Photon Absorption Spectra of Octupolar Molecules
K. Liu, Y.-H. Wang, Y.Q. Tu, H. Ågren and Y. Luo
J. Chem.Phys. \bf 127, 026101 (2007)		 
18. Breakdown of optical power limiting and dynamical two-photon absorption for femtosecond laser pulses in molecular medium
C.-K. Wang, J.-C. Liu, K. Zhao, Y. -P. Sun and Y. Luo
J. Opt. Soc. Am. B 24 (2007) 2436		 
19. Many-Photon Dynamics of Photobleaching
S. Gavrilyuk, S. Polyutov, P.C. Jha, Z. Rinkevicius, H. Ågren and F. Gel'mukhanov
J. Phys. Chem., A 111(2007) 11961		 
20. Modulation of supercontinuum generation and formation of attosecond pulse from a generalized two-level medium
K. Zhao, J.-C. Liu, C.-K. Wang and Y. Luo
J. Phys. B: At. Mol. Opt. Phys. 40 (2007) 1523		 
21. Origin of the anomalous two-photon absorption in fluorescent protein DsRed
R. Nifosi and Y. Luo
J. Phys. Chem. B (Letter), 111 (2007) 505		 
22. Predictions of Novel Two-Photon Absorption Bands in Fluorescent Proteins
R. Nifosi and Y. Luo
J. Phys. Chem. B, 111 (2007) 14043		 
23. Quantum chemical investigation on one- and two-photon absorption properties for a series of donor-π-acceptor-type compounds with trivalent boron as an acceptor
N. Lin, X. Zhao, X.-F. Cheng and M.-H. Jiang
J. Molecular Structure (Theochem), 820 (2007) 98		 
24. Vibronic induced one and two-photon absorptions of a charge-transfer molecule
N. Lin, X. Zhao, A. Rizzo and Y. Luo
J. Chem.Phys. 126 (2007) 244509		 
25. A Butterfly effect as a clue to the unique Photophysics of Thioxanthone
O. Rubio-Pons, L. Serrano-Andres, D. Burget and P. Jacques
J. of Photochem and Photobio. A: Chemistry, 179, 298 (2006)		 
26. Density Functional Theory Study of Vibronic Structure of the First Absorption Qx Band in Free-Base Porphin
B. Minaev, Y.-H. Wang, C.-K. Wang, Y. Luo and H. Ågren
Spectrochimica Acta A: Mol. Bio. Spectro. 65 (2006) 308		 
27. Nonlinear pulse propagation in many-photon active media
A. Baev, S. Polyutov, I. Minkov, F. Gel'mukhanov and H. Ågren
Nonlinear optical properties of matter: From molecules to.., p.211-250, Springer (2006)		 
28. Quantum-classical modeling of nonlinear pulse propagation in a dissolved two-photon active chromophore
A. Baev, P. Sałek, F. Gel'mukhanov and H. Ågren
J. Phys. Chem. B, 110, 5379 (2006).		 
29. Self-sustained pulsation of amplified spontaneous emission of molecules in solution
S. Polyutov, V. Kimberg, A. Baev, F. Gel'mukhanov and H. Ågren
J Phys B: At. Mol. Opt. Phys. 39, 215-227 (2006)		 
30. Theoretical simulations of clamping levels in optical power limiting
A. Baev, P. Norman. J. Henriksson and H. Ågren
J. Phys. Chem. B, 110, 20912 (2006).		 
31. Bi-directional description of amplified spontaneous emission induced by three-photon absorption
A. Baev, V. Kimberg, S. Polyutov, F. Gel'mukhanov and H. Ågren
J. of Opt. Soc. of Am. B 22, 385-393 (2005)		 
32. Calculations of two-photon charge-transfer excitations using Coulomb-attenuated density-functional theory
E. Rudberg, P. Sałek, T. Helgaker and H. Ågren
J. Chem. Phys. 123, 184108 (2005)		 
33. Charge-transfer Zn-porphyrin derivatives with large two-photon absoprtion cross sections at fundamental wavelengths of 1.3 ï¿œ1.5 \mum
Y. Luo, O. Rubio-Pons, J.-D. Guo and H. Ågren
J. Chem. Phys. 122 (2005) 096101		 
34. Interplay of one- and two-step channels in electro-vibrational two-photon absorption
S. Polyutov, I. Minkov, F. Gel'mukhanov and H. Ågren
J Phys Chem A 109, 9507 (2005)		 
35. Multi-photon Absorption of Molecules
P. Cronstrand, Y. Luo and H. Ågren
Adv. Quantum Chem., 50 (2005) 1		 
36. Quantum chemical studies of three-photon absorption of some stilbenoid chromophores.
P. Sałek, H. Ågren, A. Baev and P. N. Prasad.
J. Phys. Chem A 109, 11037, (2005)		 
37. Resonant propagation of femtosecond laser pulse in DBASVP molecule: one-dimensional asymmetric organic molecule
K. Zhao, J.-C. Liu, C.-K. Wang and Y. Luo
Chin. Phys. 14, 2014 (2005)		 
38. Spectral profiles of two-photon absorption: Coherent versus two-step two-photon absorption
S. Polyutov I. Minkov F. Gel'mukhanov, K. Kamada, A. Baev and H. Ågren
Mater. Res. Soc. Symp. Proc. v.846, Warrendale, PA , 2005, DD1.2		 
39. Studies on two-photon absorption cross-sections of 1,4-dimethoxy-2,5-divinyl-benzene derivatives
K. Zhao, Y.-H. Sun, C.-K. Wang, Y. Luo, X. Zhang, X.-Q. Yu and M.-H. Jiang
ACTA PHYSICA SINICA 54 (2005) 2662.		 
40. Density functional theory calculations of three-photon absorption
P. Cronstrand, B. Jansik, D. Jonsson, Y. Luo and H. Ågren
J. Chem. Phys. 121, 9239, (2004)		 
41. Few-states models for three-photon absorption
P. Cronstrand, P. Norman, Y. Luo and H. Ågren
J. Chem. Phys. 121, 2020, (2004)		 
42. Optical limiting properties of zinc and platinum based organometallic compounds
A. Baev, O. Rubio-Pons, F. Gel'mukhanov and H. Ågren
J. Phys. Chem. A, 108, 7406-7416 (2004)		 
43. The calculation of indirect nuclear spin--spin coupling constants in large molecules.
M. A. Watson, P. Sałek, P. Macak, M. Jaszu\'nski and T. Helgaker
Chemistry - A European Journal, 10, 4627 (2004)		 
44. Theoretical studies on nonlinear optical properties of two newly synthesized compounds: PVPHC and DPVPA
Y.-H. Sun, K. Zhao, C.-K. Wang, Y. Luo, Y.-X Yan, X.-T. Tao and M.-H. Jiang
Chem. Phys. Lett., 394, 176 (2004)		 
45. The trust-region self-consistent field method: Towards a black-box optimization in Hartree--Fock and Kohn--Sham theories.
L. Thøgersen, J. Olsen, D. Yeager, P. Jørgensen and P. Sałek and T. Helgaker
J. of Chem. Phys. 121, 16 (2004)		 
46. Two-photon-absorption-induced nonlinear photoresponse in GaAs/AlGaAs quantum-well infrared photodetectors
J. Jiang, Y. Fu, N. Li, X.S. Chen, H.L. Zhen, W. Lu, M.K. Wang, X.P. Yang, G. Wu, Y.H. Fan and Y. G. Li
Appl. Phys. Lett. 85 (16): 3614-3616 OCT 18 2004		 
47. Two-photon absorption properties of multi-branched bis-(styryl)benzene based organic chromophores
Y.-H. Sun, K. Zhao, C.-K. Wang, Y. Luo, Y. Ren, X.-T. Tao and M.-H. Jiang
THEOCHEM, 682 (2004) 183		 
48. Upconverted lasing based on many-photon absorption: An all dynamic description
A. Baev, F. Gel'mukhanov, O. Rubio-Pons, P. Cronstrand and H. Ågren
J. Opt. Soc. Am. B, 21, Issue 2, 384 (2004)		 
49. Ab initio Calculations of the Three-body C2 + H + H Dissociative Recombination Channel for the C2H2+ + e Reaction
A.M. Derkatch, B. Minaev and M. Larsson
Physica Scripta, 67: 407-413, 2003
Attached: newPaptoAuth719.ps
50. Ab initio calculations of three-photon absorption
P. Cronstrand, Y. Luo, P. Norman and H. Ågren
Chem. Phys. Lett., 375 (2003) 233.		 
51. Calculations of two-photon absorption cross sections by means of density functional theory
P. Sałek, O. Vahtras, J.-D. Guo, Y. Luo, T. Helgaker and H. Ågren
Chem. Phys. Lett., 374 (2003) 446.		 
52. Influence of electron-acceptor strength on the resonant two-photon absorption cross sections of diphenylaminofluorene-based chromophores
J.-D. Guo, C.-K. Wang, Y. Luo and H. Ågren
Phys. Chem. Chem. Phys. 5 (2003) 3869		 
53. Solvent effects on electronic structrues of a newly synthesized two-photon polymerization initiator
C. -K. Wang, K. Zhao, Y. Su, Y. Ren, X. Zhao and Y. Luo
J. Chem. Phys., 119 (2003) 1208.		 
54. Effects of dipole alignment and channel interference on two-photon absorption cross sections of two-dimensional charge-transfer systems
P. Cronstrand, Y. Luo and H. Ågren
J. Chem. Phys., 117, 11102 (2002)		 
55. MCSCF linear response study of the three-body dissociative recombination CH2+ + e = C + 2H
B.F. Minaev and M. Larsson
Chemical Physics, 280, 15-30, 2002
Attached: science.ps
56. Two-photon excitations in molecules. Bookchapter in: Non-linear optical responses of molecules, solids and liquids: Methods and applications.
P. Macak, P. Cronstrand, A. Baev, P. Norman, F. Gel'mukhanov, Y. Luo and H. Ågren
M .Papadopoulos, editor, Plenum Press (2002)		 
57. Ab initio calculation of transition moments for transitions between valence states of oxygen molecule
B.F. Minaev and L.G. Telyatnik
Opt. Spectrosc. 91, 883-890, 2001		 
58. Electronic and vibronic contributions to two-photon absorption of molecules with multi-branched structures
P.Macak, Y. Luo, P.Norman and H.Ågren
J.Chem. Phys. 113, 7062 (2000)
Attached: prl.pdf
59. Response Theory Calculations of Two-photon Absorption Cross Sections.
Y. Luo, P. Norman and H. Ågren
Nonlinear Optics, 26, 153 (2000)..		 
60. Simulations of vibronic profiles in two-photon absorption
P. Macak, Y. Luo and H. Ågren
Chem. Phys. Lett., \bf 330, 447-456 (2000)
Attached: lincoup.pdf
61. Solvent induced two-photon absorption of push-pull molecules
Y.Luo, P.Norman, P.Macak and H.Ågren
J. Phys. Chem. A, 104, 4718 (2000)
Attached: tpsol.pdf
62. Theoretical calculations for excited state absorbtion
P. Cronstrand, O. Christiansen, P. Norman and H. Ågren
Phys. Chem. Chem. Phys. 2000, 2, 5357 (2000)		 
63. Large two-photon absorption cross sections in two-dimensional charge-transfer, cumulene-containing aromatic molecules
P. Norman, Y. Luo and H. Ågren
J. Chem. Phys. \bf 111, No 17, 7758-7765 (1999)
Attached: tpa3_jcp.pdf
64. Two-photon absorption of five-membered heteroatomic oligomers:
P. Norman, Y. Luo and H. Ågren
Opt. Comm. \bf 168, 297 (1999)
Attached: tpa2.pdf
65. Structure-to-property relations for two-photon absorption of hydrocarbon oligomers
P. Norman, Y. Luo and H. Ågren
Chem. Phys. Lett. \bf 296, 8 (1998)		 
66. One- and two-photon absorption spectra of short conjugated polyenes
Y. Luo, H. Ågren and S. Stafström
J. Phys. Chem. \bf 98, 7782 (1994)		 
67. Multi-configuration quadratic response calculations of two-photon electronic transition probabilities of H2O
Y. Luo, H. Ågren, O. Vahtras and P. Jørgensen
Chem. Phys. Letters \bf 204, 587 (1993)		 
68. Response theory calculations of the vibronically induced 1A1g -1B2u two-photon spectrum of benzene
Y. Luo, H. Ågren, S. Knuts, B.F. Minaev and Jørgensen
Chem. Phys.Letters \bf 209, 513 (1993)		 
69. The two-photon spectrum of pyrimidine. Role of vibronic coupling
Y. Luo, H. Ågren, S. Knuts and P. Jørgensen
Chem. Phys. Letters \bf 213, 356 (1993)		 

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