B-spline algebraic diagrammatic construction: Application to photoionization cross-sections and high-order harmonic generation
نویسندگان
چکیده
منابع مشابه
Total molecular photoionization cross-sections by algebraic diagrammatic construction-Stieltjes-Lanczos method: benchmark calculations.
In [K. Gokhberg, V. Vysotskiy, L. S. Cederbaum, L. Storchi, F. Tarantelli, and V. Averbukh, J. Chem. Phys. 130, 064104 (2009)] we introduced a new L(2) ab initio method for the calculation of total molecular photoionization cross-sections. The method is based on the ab initio description of discretized photoionized molecular states within the many-electron Green's function approach, known as al...
متن کاملTotal photoionization cross-sections of excited electronic states by the algebraic diagrammatic construction-Stieltjes-Lanczos method.
Here, we extend the L2 ab initio method for molecular photoionization cross-sections introduced in Gokhberg et al. [J. Chem. Phys. 130, 064104 (2009)] and benchmarked in Ruberti et al. [J. Chem. Phys. 139, 144107 (2013)] to the calculation of total photoionization cross-sections of molecules in electronically excited states. The method is based on the ab initio description of molecular electron...
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Guoli Wang,1,2 Cheng Jin,2 Anh-Thu Le,2 and C. D. Lin2 1Key Laboratory of Atomic and Molecular Physics and Functional Materials of Gansu Province, College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070, China 2J. R. Macdonald Laboratory, Physics Department, Kansas State University, Manhattan, Kansas 66506-2604, USA (Received 29 February 2012; published 10 Jul...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2014
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4900444