caa a22 4500 445866519 CHVBK 20180317145459.0 cr unu---uuuuu 170323e20110501xx s 000 0 eng 10.1140/epjd/e2011-10658-6 doi (NATIONALLICENCE)springer-10.1140/epjd/e2011-10658-6 Stanton L. The Athenaeum, 107 Pall Mall, SW1Y 5ER, London, UK aut Interatomic potentials at short range using Madelung's equations [Elektronische Daten] [L. Stanton] Interatomic potentials at short range are investigated starting from the united atom electron density. Prior work has utilised time independent Rayleigh-Schrödinger perturbation theory, adapted to overcome difficulties with convergence of the power series in internuclear distance, and has been confined to diatomic species. This work presents a time dependent approach, based on Madelung's equations, in which the electron density evolves continuously from that of the united atom to the density of the polyatomic system; no power series is involved, there are no convergence difficulties and the approach is applicable to polyatomic systems. Electronic separation and interaction energies are calculated and compared to previous calculations. Some triatomic and tetratomic arrays of hydrogen atoms are examined and three and four body interaction terms estimated. EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg, 2011 The European Physical Journal D Springer-Verlag 62/3(2011-05-01), 327-345 1434-6060 62:3<327 2011 62 10053 https://doi.org/10.1140/epjd/e2011-10658-6 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1140/epjd/e2011-10658-6 text/html Onlinezugriff via DOI NATIONALLICENCE 100 1- Stanton L. The Athenaeum, 107 Pall Mall, SW1Y 5ER, London, UK aut NATIONALLICENCE 773 0- The European Physical Journal D Springer-Verlag 62/3(2011-05-01), 327-345 1434-6060 62:3<327 2011 62 10053 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer