Telnov Dmitry A, Krapivin Dmitry A, Heslar John, Chu Shih-I
Department of Physics , St. Petersburg State University , St. Petersburg 199034 , Russia.
Department of Physics , National Taiwan University , Taipei 10106 , Taiwan.
J Phys Chem A. 2018 Oct 11;122(40):8026-8036. doi: 10.1021/acs.jpca.8b07463. Epub 2018 Oct 2.
We perform a theoretical and computational study of relativistic one-electron homonuclear diatomic quasimolecules subject to strong electromagnetic fields linearly polarized along the molecular axis. Several quasimolecules with the nuclear charges 1-92 and appropriately scaled internuclear distances and field parameters are used in the calculations. The time-dependent Dirac equation is solved with the help of the generalized pseudospectral method in prolate spheroidal coordinates. We have found that employing this coordinate system makes it possible to avoid emergence of spurious states, which usually show up when solving the Dirac equation numerically. For lower carrier frequencies, interaction with the driving field is described within the dipole approximation. Relativistic effects in the multiphoton ionization probabilities are investigated with respect to the internuclear distance in the quasimolecule. For higher frequencies, the interaction with the field is described beyond the dipole approximation. Nondipole effects in the ionization probability are discussed.
我们对沿分子轴线性极化的强电磁场作用下的相对论单电子同核双原子准分子进行了理论和计算研究。计算中使用了几种核电荷数为1 - 92、具有适当缩放的核间距和场参数的准分子。借助广义伪谱方法在长椭球坐标下求解含时狄拉克方程。我们发现采用这种坐标系可以避免出现虚假态,而在数值求解狄拉克方程时虚假态通常会出现。对于较低的载波频率,在偶极近似下描述与驱动场的相互作用。研究了准分子中多光子电离概率的相对论效应与核间距的关系。对于较高频率,超出偶极近似描述与场的相互作用。讨论了电离概率中的非偶极效应。