Sample records for calculations 1-dimensional

Sample records 1 - 2 shown.


Photodetachment spectrum of OHF-: Three-dimensional study of the heavy–light–heavy resonances

González-Sánchez, Lola ; Gómez Carrasco, Susana ; Aguado, Alfredo ; Paniagua, Miguel ; Hernández, M. Luz

12 pages, 14 figures, 1 table.-- PACS nrs.: 82.30.Cf; 82.20.Kh; 31.15.Ar; 33.15.Mt; 33.80.Gj; 31.25.Eb; 31.50.Bc. | In this work a simulation of the OHF- photodetachment spectrum is performed in a three-dimensional potential energy surface recently developed for OHF(3A''). The ground 2A' state poten...

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F+OH reactive collisions on new excited 3A'' and 3A' potential-energy surfaces

Gómez Carrasco, Susana ; Roncero, Octavio ; González-Sánchez, Lola ; Hernández, M. Luz ; Alvariño, José M.

13 pages, 10 figures, 5 tables.-- PACS nrs.: 82.30.Cf; 82.20.Kh; 82.20.Db; 82.20.Pm. | Global three-dimensional adiabatic potential-energy surfaces for the excited 2(3)A'' and 1(3)A' triplet states of OHF are obtained to study the F(2P)+OH(2Π)O(3P)+HF(1Σ+) reaction. Highly accurate ab initio calcula...

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