Prospects of using the secondorder perturbation theory of the MP2 type in the theory of electron scattering by polyatomic molecules
Abstract
So far the secondorder 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:
 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: ICCMSE2010: International Conference of Computational Methods in Sciences and Engineering 2010, Kos (Greece), 38 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; ELECTRONMOLECULE COLLISIONS; ELECTRONS; HYDROGEN; MOLECULES; PERTURBATION THEORY; SCATTERING
Citation Formats
Čársky, Petr. Prospects of using the secondorder perturbation theory of the MP2 type in the theory of electron scattering by polyatomic molecules. United States: N. p., 2015.
Web. doi:10.1063/1.4906649.
Čársky, Petr. Prospects of using the secondorder perturbation theory of the MP2 type in the theory of electron scattering by polyatomic molecules. United States. doi:10.1063/1.4906649.
Čársky, Petr. Thu .
"Prospects of using the secondorder perturbation theory of the MP2 type in the theory of electron scattering by polyatomic molecules". United States.
doi:10.1063/1.4906649.
@article{osti_22390883,
title = {Prospects of using the secondorder perturbation theory of the MP2 type in the theory of electron scattering by polyatomic molecules},
author = {Čársky, Petr},
abstractNote = {So far the secondorder 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.},
doi = {10.1063/1.4906649},
journal = {AIP Conference Proceedings},
number = 1,
volume = 1642,
place = {United States},
year = {Thu Jan 22 00:00:00 EST 2015},
month = {Thu Jan 22 00:00:00 EST 2015}
}
DOI: 10.1063/1.4906649
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