The UK molecular R-matrix codes
作者： Lesley A. Morgan , Jonathan Tennyson , Charles J. Gillan
DOI: 10.1016/S0010-4655(98)00056-3
关键词: Robustness (computer science) 、 R-matrix 、 Computational science 、 Low energy 、 Atomic physics 、 Research groups 、 Computer science 、 Computer program
摘要: Abstract The R-matrix method has been used with great success in recent years to model low energy scattering of electrons and positrons by molecules. codes, developed a consortium UK research groups as part the Collaborative Computational Project 2 (CCP2), have now reached high robustness stability. Their overall design is described this paper.
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sci-hub.se 参考文章(28)
Advanced theories and computational approaches to the electronic structure of molecules D. Reidel Pub. Co. , Sold and distributed in the U.S.A. and Canada by Kluwer Academic Publishers. ,(1984) , 10.1007/978-94-009-6451-8
Franco A Gianturco, Winifred M Huo, Computational methods for electron-molecule collisions Plenum Press. ,(1995) , 10.1007/978-1-4757-9797-8
Enrico Clementi, Modern Techniques in Computational Chemistry: MOTECC™ -89 ,(1899)
Philip G. Burke, R-Matrix Theory of Atomic and Molecular Processes mbta. pp. 293- 311 ,(1977) , 10.1007/978-1-4613-4202-1_18
I Rabadán, J Tennyson, R-matrix calculation of the bound and continuum states of the - system Journal of Physics B. ,vol. 29, pp. 3747- 3761 ,(1996) , 10.1088/0953-4075/29/16/018
Darian T. Stibbe, Jonathan Tennyson, TIMEDEL: A program for the detection and parameterization of resonances using the time-delay matrix Computer Physics Communications. ,vol. 114, pp. 236- 242 ,(1998) , 10.1016/S0010-4655(98)00070-8
Jonathan Tennyson, R-matrix calculation of Rydberg states of CO Journal of Physics B. ,vol. 29, pp. 6185- 6201 ,(1996) , 10.1088/0953-4075/29/24/024
Ismanuel Rabadán, Jonathan Tennyson, ROTIONS: A program for the calculation of rotational excitation cross sections in electron—molecular ion collisions Computer Physics Communications. ,vol. 114, pp. 129- 141 ,(1998) , 10.1016/S0010-4655(98)00068-X
Jonathan Tennyson, Cliff J. Noble, RESON—A program for the detection and fitting of Breit-Wigner resonances Computer Physics Communications. ,vol. 33, pp. 421- 424 ,(1984) , 10.1016/0010-4655(84)90147-4
L. Malegat, DCS — a program for calculating differential cross sections for the electronic excitation of diatomic molecules at fixed nuclei Computer Physics Communications. ,vol. 60, pp. 391- 404 ,(1990) , 10.1016/0010-4655(90)90036-Z