Abstract
The electronic structures and dipole moments of para-nitroaniline molecule are calculated by use of density functional theory at ab initio level. We then investigate theoretically the interaction between the ultrashort pulse laser and the para-nitroaniline molecule medium by solving the full Maxwell-Bloch equations. The effects of permanent dipole moments on the pulse reshaping, the spectrum components, and the evolutions of energy state populations are discussed in detail. The results show that the standing slowly varying envelope and the rotating-wave approximations fail to give a good description for the propagation of an ultrashort pulse in the molecule medium. Furthermore, the dipole moments of the molecule make the propagation deviate from the area theorem further and make the pulse split more quickly. When the pulse with the excitation energy of the charge-transfer state propagates in the para-nitroaniline molecule medium, the second-harmonic spectral component appears obviously and becomes stronger as the propagating distance increases, which displays the high two-photon absorption properties of the molecule.
| Language | English |
|---|---|
| Pages | 2072-2078 |
| Number of pages | 7 |
| Journal | Wuli Xuebao/Acta Physica Sinica |
| Volume | 54 |
| Issue number | 5 |
| Publication status | Published - 10 May 2005 |
| Externally published | Yes |
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Dynamical behavior of ultrashort pulse laser in para-nitroaniline molecules. / Li, Hongyu; Zhao, Ke; Pan, Rui Qin; Sun, Yuan Hong; Wang, Chuan Kui.
In: Wuli Xuebao/Acta Physica Sinica, Vol. 54, No. 5, 10.05.2005, p. 2072-2078.Research output: Contribution to journal › Article
TY - JOUR
T1 - Dynamical behavior of ultrashort pulse laser in para-nitroaniline molecules
AU - Li, Hongyu
AU - Zhao, Ke
AU - Pan, Rui Qin
AU - Sun, Yuan Hong
AU - Wang, Chuan Kui
PY - 2005/5/10
Y1 - 2005/5/10
N2 - The electronic structures and dipole moments of para-nitroaniline molecule are calculated by use of density functional theory at ab initio level. We then investigate theoretically the interaction between the ultrashort pulse laser and the para-nitroaniline molecule medium by solving the full Maxwell-Bloch equations. The effects of permanent dipole moments on the pulse reshaping, the spectrum components, and the evolutions of energy state populations are discussed in detail. The results show that the standing slowly varying envelope and the rotating-wave approximations fail to give a good description for the propagation of an ultrashort pulse in the molecule medium. Furthermore, the dipole moments of the molecule make the propagation deviate from the area theorem further and make the pulse split more quickly. When the pulse with the excitation energy of the charge-transfer state propagates in the para-nitroaniline molecule medium, the second-harmonic spectral component appears obviously and becomes stronger as the propagating distance increases, which displays the high two-photon absorption properties of the molecule.
AB - The electronic structures and dipole moments of para-nitroaniline molecule are calculated by use of density functional theory at ab initio level. We then investigate theoretically the interaction between the ultrashort pulse laser and the para-nitroaniline molecule medium by solving the full Maxwell-Bloch equations. The effects of permanent dipole moments on the pulse reshaping, the spectrum components, and the evolutions of energy state populations are discussed in detail. The results show that the standing slowly varying envelope and the rotating-wave approximations fail to give a good description for the propagation of an ultrashort pulse in the molecule medium. Furthermore, the dipole moments of the molecule make the propagation deviate from the area theorem further and make the pulse split more quickly. When the pulse with the excitation energy of the charge-transfer state propagates in the para-nitroaniline molecule medium, the second-harmonic spectral component appears obviously and becomes stronger as the propagating distance increases, which displays the high two-photon absorption properties of the molecule.
KW - Maxwell-Bloch equations
KW - Para-nitroaniline molecule
KW - Ultrashort pulse
UR - http://www.scopus.com/inward/record.url?scp=19044385426&partnerID=8YFLogxK
UR - http://wulixb.iphy.ac.cn/EN/Y2005/V54/I5/02072
M3 - Article
VL - 54
SP - 2072
EP - 2078
JO - Wuli Xuebao/Acta Physica Sinica
T2 - Wuli Xuebao/Acta Physica Sinica
JF - Wuli Xuebao/Acta Physica Sinica
SN - 1000-3290
IS - 5
ER -