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Title: Prospects of using the second-order perturbation theory of the MP2 type in the theory of electron scattering by polyatomic molecules

So far the second-order perturbation theory has been only applied to the hydrogen molecule. No application was attempted for another molecule, probably because of technical difficulties of such calculations. The purpose of this contribution is to show that the calculations of this type are now feasible on larger polyatomic molecules even on commonly used computers.
Authors:
 [1]
  1. J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.i.i., Dolejškova 3, 18223 Prague 8 (Czech Republic)
Publication Date:
OSTI Identifier:
22390883
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1642; Journal Issue: 1; Conference: ICCMSE-2010: International Conference of Computational Methods in Sciences and Engineering 2010, Kos (Greece), 3-8 Oct 2010; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; ELECTRON-MOLECULE COLLISIONS; ELECTRONS; HYDROGEN; MOLECULES; PERTURBATION THEORY; SCATTERING