期刊
JOURNAL OF MODERN OPTICS
卷 58, 期 13, 页码 1132-1140出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/09500340.2011.559315
关键词
multi-electron; R-matrix; finite-difference; strong laser fields; high performance computing
类别
资金
- Numerical Algorithms Group (NAG) Ltd
- UK Engineering and Physical Sciences Research Council
- Science Foundation Ireland
- European Science Foundation COST Action [CM0702]
- HECToR
- Engineering and Physical Sciences Research Council [EP/G055416/1] Funding Source: researchfish
- EPSRC [EP/G055416/1] Funding Source: UKRI
We describe a new ab initio method for solving the time-dependent Schrodinger equation for multi-electron atomic systems exposed to intense short-pulse laser light. We call the method the R-matrix with time-dependence (RMT) method. Our starting point is a finite-difference numerical integrator (HELIUM), which has proved successful at describing few-electron atoms and atomic ions in strong laser fields with high accuracy. By exploiting the R-matrix division-of-space concept, we bring together a numerical method most appropriate to the multi-electron finite inner region (R-matrix basis set) and a different numerical method most appropriate to the one-electron outer region (finite difference). In order to exploit massively parallel supercomputers efficiently, we time-propagate the wavefunction in both regions by employing Arnoldi methods, originally developed for HELIUM.
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