Publications in Scientific Journals:
T. Sato, K. L. Ishikawa, I. Brezinova, F. Lackner, S. Nagele, J. Burgdörfer:
"Time-dependent complete-active-space self-consistent-field method for atoms: Application to high-order harmonic generation";
Physical Review A,
94
(2016),
2;
023405-1
- 023405-14.
English abstract:
We present a numerical implementation of the time-dependent complete-active-space self-consistent-field (TD-CASSCF) method [Phys. Rev. A 88, 023402 (2013)] for atoms driven by a strong linearly polarized laser pulse. The present implementation treats the problem in its full dimensionality and introduces a gauge-invariant frozen-core approximation, an efficient evaluation of the Coulomb mean field scaling linearly with the number of basis functions, and a split-operator method specifically designed for stable propagation of stiff spatial derivative operators. We apply this method to high-harmonic generation in helium, beryllium, and neon and explore the role of electron correlations.
"Official" electronic version of the publication (accessed through its Digital Object Identifier - DOI)
http://dx.doi.org/10.1103/PhysRevA.94.023405
Created from the Publication Database of the Vienna University of Technology.