Molecular integrals by numerical quadrature. I. Radial integration
ContributorsLindh, Roland; Malmqvist, Per-Åke; Gagliardi, Laura
Published inTheoretical Chemistry accounts, vol. 106, no. 3, p. 178-187
Publication date2001
Abstract
Keywords
- Numerical quadrature
- Molecular orbital theory
- Density functional theory
Affiliation entities
Research groups
Citation (ISO format)
LINDH, Roland, MALMQVIST, Per-Åke, GAGLIARDI, Laura. Molecular integrals by numerical quadrature. I. Radial integration. In: Theoretical Chemistry accounts, 2001, vol. 106, n° 3, p. 178–187. doi: 10.1007/s002140100263
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Article (Published version)
Identifiers
- PID : unige:3732
- DOI : 10.1007/s002140100263
ISSN of the journal1432-2234