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

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F15%3A00441389" target="_blank" >RIV/61388955:_____/15:00441389 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1063/1.4906649" target="_blank" >http://dx.doi.org/10.1063/1.4906649</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1063/1.4906649" target="_blank" >10.1063/1.4906649</a>

Result language

angličtina

Original language name

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

Original language description

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.

Czech name

—

Czech description

—

Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

—

Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2015

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

AIP Conference Proceedings

ISSN

1551-7616

e-ISSN

—

Volume of the periodical

191

Issue of the periodical within the volume

2015

Country of publishing house

US - UNITED STATES

Number of pages

2

Pages from-to

191-192

UT code for WoS article

000354845400024

EID of the result in the Scopus database

—