期刊
PHYSICAL REVIEW A
卷 78, 期 6, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevA.78.063420
关键词
atom-electron collisions; electromagnetic fields; finite difference methods; hydrogen neutral atoms; Schrodinger equation; wave functions
资金
- European Union (EIF)
- UK Engineering and Physical Sciences Research Council (EPSRC)
- EPSRC [EP/E000223/1, EP/E016588/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/E016588/1, EP/E000223/1] Funding Source: researchfish
In this work we present the theoretical framework for the solution of the time-dependent Schrodinger equation (TDSE) of atomic and molecular systems under strong electromagnetic fields with the configuration space of the electron's coordinates separated over two regions; that is, regions I and II. In region I the solution of the TDSE is obtained by an R-matrix basis set representation of the time-dependent wave function. In region II a grid representation of the wave function is considered and propagation in space and time is obtained through the finite-difference method. With this, a combination of basis set and grid methods is put forward for tackling multiregion time-dependent problems. In both regions, a high-order explicit scheme is employed for the time propagation. While, in a purely hydrogenic system no approximation is involved due to this separation, in multielectron systems the validity and the usefulness of the present method relies on the basic assumption of R-matrix theory, namely, that beyond a certain distance (encompassing region I) a single ejected electron is distinguishable from the other electrons of the multielectron system and evolves there (region II) effectively as a one-electron system. The method is developed in detail for single active electron systems and applied to the exemplar case of the hydrogen atom in an intense laser field.
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