计算强电场中原子和双原子分子的多维网格方法
Multidimensional Mesh Approaches to Calculations of Atoms and Diatomic Molecules in Strong Electric Fields
摘要：
完全数值网格解决方案的二维和三维量子方程的薛定谔和Hartree-Fock类型，使我们能够与波函数具有非常灵活的几何形状。这种灵活性对于计算强外场中的原子和分子特别重要，因为外场和内部相互作用都不能被认为是微扰。在此方法的框架下，我们提出了各种方法来计算这些系统在强电场中的准稳态。这些方法的目的是获得精确的复波函数和相应的本征值E = E_0 - iΓ/2，其中E_0是能量的实部，Γ/2决定了与电子逃逸有关的态的寿命。单电子系统的应用包括在强平行电场和磁场中H_2^+离子（能量和衰变率）和氢原子的薛定谔方程的正确解。给出了氦原子在强电场中的一些结果。
英文摘要：
Fully numerical mesh solutions of 2D and 3D quantum equations of Schroedinger and Hartree-Fock type allow us to work with wavefunctions which possess a very flexible geometry. This flexibility is especially important for calculations of atoms and molecules in strong external fields where neither the external field nor the internal interactions can be considered as a perturbation. In the framework of this method we present various approaches to calculations of quasi-steady states of these systems in strong electric fields. These approaches are aimed at obtaining precise complex wavefunctions and corresponding eigenvalues in the form E = E_0 - iΓ/2, where E_0 is the real part of the energy and the value Γ/2 determines the lifetime of the state in relation to escape of electrons from the system. The applications for single-electron systems include correct solutions of the Schroedinger equation for the H_2^+ ion (energies and decay rates) and the hydrogen atom in strong parallel electric and magnetic fields. Some results for the helium atom in strong electric fields are announced.
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