Ultrafast nonadiabatic dynamics of a water dimer in femtosecond laser pulses

Wang ZP, Dinh PM, Reinhard PG, Suraud E (2014)

Publication Type: Journal article

Publication year: 2014

Journal

Laser Physics MAIK Nauka/Interperiodica (МАИК Наука/Интерпериодика) / Institute of Physics

Book Volume: 24

Article Number: 106004

Journal Issue: 10

DOI: 10.1088/1054-660X/24/10/106004

Abstract

In the frame of the time-dependent local-density approximation coupled nonadiabatically to molecular dynamics (MD), we explored the optical absorption strength and dynamics of a water dimer in intense laser pulses with different intensities. The optical absorption spectra of a water dimer exhibiting well marked and isolated peaks agrees well with the results obtained by ab initio MD simulations. Three typical possible reaction paths are exhibited, which are normal oscillation, OH bond break and Coulomb explosion, respectively. The ionic motion shows that the water donor and the bonded OH bond are more sensitive to the laser intensity. Moreover, the water donor determines the structural reorganization of the water dimer. It is also found that the larger intensity causes higher ionization and brings forward H-transfer.

Authors with CRIS profile

Paul-Gerhard Reinhard Naturwissenschaftliche Fakultät

Involved external institutions

Wuxi Institute of Technology (WXIT) / 无锡理工学院 CN China (CN) National Center for Scientific Research / Centre national de la recherche scientifique (CNRS) FR France (FR)

How to cite

APA:

Wang, Z.P., Dinh, P.M., Reinhard, P.-G., & Suraud, E. (2014). Ultrafast nonadiabatic dynamics of a water dimer in femtosecond laser pulses. Laser Physics, 24(10). https://dx.doi.org/10.1088/1054-660X/24/10/106004

MLA:

Wang, Z. P., et al. "Ultrafast nonadiabatic dynamics of a water dimer in femtosecond laser pulses." Laser Physics 24.10 (2014).

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