lnu.sePublications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Detailed derivation of Gaussian orbital based matrix elements in electron structure calculations.
Linnaeus University, Faculty of Science and Engineering, School of Computer Science, Physics and Mathematics.
Institutionen för fysik, Göteborgs Universitet.
2010 (English)In: European journal of physics, ISSN 0143-0807, E-ISSN 1361-6404, Vol. 31, p. 37-46Article in journal (Refereed) Published
Abstract [en]

A detailed derivation of analytic solutions is presented for overlap, kinetic, nuclear attraction and electron repulsion integrals involving Cartesian Gaussian-type orbitals. It is demonstrated how s-type orbitals can be used to evaluate integrals with higher angular momentum via the properties of Hermite polynomials and differentiation with respect to non-integration variables.

Place, publisher, year, edition, pages
IOP Publishing Limited , 2010. Vol. 31, p. 37-46
National Category
Other Physics Topics Theoretical Chemistry
Research subject
Natural Science, Physics
Identifiers
URN: urn:nbn:se:vxu:diva-6457DOI: 10.1088/0143-0807/31/1/004OAI: oai:DiVA.org:vxu-6457DiVA, id: diva2:282089
Available from: 2010-01-22 Created: 2009-12-18 Last updated: 2017-12-12Bibliographically approved

Open Access in DiVA

fulltext(155 kB)2494 downloads
File information
File name FULLTEXT01.pdfFile size 155 kBChecksum SHA-512
8341b04c86afbb05b3c77e28046dcc41ccd191422349ed3282c6926329ceb5172c6f26b2131809294241a7896fef7600cc8373b6858ec7c3aed68f883a7c092b
Type fulltextMimetype application/pdf

Other links

Publisher's full texthttp://www.iop.org/EJ/abstract/0143-0807/31/1/004/

Authority records BETA

Petersson, Tomas

Search in DiVA

By author/editor
Petersson, Tomas
By organisation
School of Computer Science, Physics and Mathematics
In the same journal
European journal of physics
Other Physics TopicsTheoretical Chemistry

Search outside of DiVA

GoogleGoogle Scholar
Total: 2494 downloads
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 158 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf