Abstract

We theoretically study the dynamics of water tetramer in intense femtosecond laser pulses with different frequencies. The simulations are carried out by incorporating the molecular dynamics method non-adiabatically into the time-dependent local-density approximation (TDLDA-MD). Three typical scenarios of water tetramer including the normal vibration with enlarged OH bonds, free OH bonds breaking and the pure Coulomb explosion are presented by investigating the electronic and ionic dynamics. The result indicates that the ionization is enhanced and the corresponding fragmentation effect as well as the damping of the dipole moment are found more notably when increasing the laser frequency especially when the frequency falls in the resonant region of the absorption spectra. The study of the level depletion reveals that the ratio of the emission amount from different levels can be controlled by changing the laser frequency referring to the Keldysh parameter.

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  28. C. Y. Zhang, J. W. Yao, C. Q. Li, Q. F. Dai, S. Lan, V. A. Trofimov, and T. M. LysakAsymmetric femtosecond laser ablation of silicon surface governed by the evolution of surface nanostructuresOpt. Express20132144394446
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  30. F. Huisken, M. Kaloudis, and A. KulckeInfrared spectroscopy of small size-selected water clustersJ. Chem. Phys.19961041725
  31. Z. Z. Lin and X. ChenUltrafast dynamics and fragmentation of C60 in intense laser pulsesPhys. Lett. A2013377797800

Other (31)

K. YamanouchiThe next frontierSci.200229516591660

M. Protopaps, C. H. Keitel, and P. I. KnightAtomic physics with super-high intensity lasersRep. Prog. Phys.199760389486

S. I. Chu and D. A. TelnovBeyond the Floquet theorem: generalized Floquet formalisms and quasienergy methods for atomic and molecular multiphoton processes in intense laser fieldsPhys. Rep.20043901131

B. Friedrich and D. HerschbachAlignment and trapping of molecules in intense laser fieldsPhys. Rev. Lett.19957446234626

L. Quaglia and C. CornaggiaExperimental evidence of excited multicharged atomic fragments coming from laser-induced coulomb explosion of moleculesPhys. Rev. Lett.20008445654568

T. Zuo, S. Chelkowski, and A. D. BandraukIonization rates of H2+ in an intense laser field by numerical integration of the time-dependent Schrödinger equationPhys. Rev. A.199246R5342R5345

J. D. Smith, C. D. Cappa, K. R. Wilson, B. M. Messer, R. C. Cohen, and R. J. SaykallyEnergetics of hydrogen bond network rearrangements in liquid waterSci.2004306851853

K. Liu, J. D. Cruzan, and R. J. SaykallyWater clustersSci.1996271929933

R. Bukowski, K. Szalewicz, G. C. Groenenboon, and A. van der AvoirdPredictions of the properties of water from first principlesSci.200731512491252

H. T. Liu, J. P. Múller, M. Beutler, M. Ghotbi, F. Noack, W. Radloff, N. Zhavoronkov, C. P. Schulz, and I. V. HertelUltrafast photo-excitation dynamics in isolated, neutral water clustersJ. Chem. Phys.2011134094305

H. Tachikawa and T. TakadaProton transfer rates in ionized water clusters (H2O)2 (n=2-4)RSC Adv.2015569456953

F. Calvayrac, P.-G. Reinhard, E. Suraud, and C. A. UllrichNonlinear electron dynamics in metal clustersPhys. Rep.2000337493578

Th. Fennel, K.-H. Meiwes-Broer, J. Tiggesbáumker, P.-G. Reinhard, P. M. Dinh, and E. SuraudLaser-driven nonlinear cluster dynamicsRev. Mod. Phys.20108217931842

Z. P. Wang, P. M. Dinh, P.-G. Reinhard, E. Suraud, and F. S. ZhangNonadiabatic effects in the irradiation of ethyleneInter. J. Quanm. Chem.2011111480486

Y. L. Jiao, F. Wang, X. H. Hong, W. Y. Su, Q. H. Chen, and F. S. ZhangElectron dynamics in CaB6 induced by one- and two-color femtosecond laserPhys. Lett. A2013377823827

U. F. Ndongmouo-Taffoti, P. M. Dinh, P.-G. Reinhard, E. Suraud, and Z. P. WangExploration of dynamical regimes of irradiated small protonated water clustersEur. Phys. J. D201058131136

Z. P. Wang, Y. M. Wu, X. M. Zhang, and C. LuTDDFT study of excitation of water molecules with short laser pulsesChin. Phys. B201322073301(1-5)

Z. P. Wang, P. M. Dinh, P.-G. Reinhard, and E. SuraudUltrafast nonadiabatic dynamics of water dimer in femto-second laser pulsesLaser Phys.201424106004(1-7)

D. J. Wales and T. R. WalshTheoretical study of the water tetramerJ. Chem. Phys.199710671937207

S. Goedecker, M. Teter, and J. HutterSeparable dual-space Gaussian pseudopotentialsPhys. Rev. B19965417031710

E. K. U. Gross and W. KohnTime-dependent density-functional theoryAdv. Quant. Chem.199021255291

C. Legrand, E. Suraud, and P.-G. ReinhardComparison of self-interaction-corrections for metal clustersJ. Phys. B20023511151128

C. A. UllrichTime-dependent Kohn-Sham approach to multiple ionizationJ. Mol. Struct. (THEOCHEM)2000501-502315325

F. Calvayrac, P.-G. Reinhard, and E. SuraudSpectral signals from electronic dynamics in sodium clustersAnn. Phys. (NY)1997255125162

L. Belau, K. R. Wilson, S. R. Leone, and M. AhmedVacuum Ultraviolet (VUV) photoionization of small water clustersJ. Phys. Chem. A20071111007510083

P. A. Pieniazek, J. VandeVondele, P. Jungwirth, A. I. Krylov, and S. E. BradforthElectronic structure of the water dimer cationJ. Phys. Chem. A200811261596170

S. M. Javier, M. Manuela, and R. S. DanielAb initio determination of the ionization potentials of water clusters (H2O)n (n=2-6)J. Chem. Phys.2012136244306

C. Y. Zhang, J. W. Yao, C. Q. Li, Q. F. Dai, S. Lan, V. A. Trofimov, and T. M. LysakAsymmetric femtosecond laser ablation of silicon surface governed by the evolution of surface nanostructuresOpt. Express20132144394446

L. V. KeldyshIonization in the field of a strong electromagnetic waveSov. Phys. JETP19642013071314

F. Huisken, M. Kaloudis, and A. KulckeInfrared spectroscopy of small size-selected water clustersJ. Chem. Phys.19961041725

Z. Z. Lin and X. ChenUltrafast dynamics and fragmentation of C60 in intense laser pulsesPhys. Lett. A2013377797800

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