| PD Dr. Maria Belen Ruiz Ruiz | Lehrstuhl für Theoretische Chemie | |
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Adresse: |
Friedrich-Alexander-Universität Erlangen-Nürnberg |
| Raum: Telefon: Fax: |
TH 1.474 +49 9131 - 85 27773 +49 9131 - 85 27736 |
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| E-mail: Web: |
belen.ruiz@chemie.uni-erlangen.de Homepage |
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| Forschungsschwerpunkt |
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| First to Hylleraas-Configuration Interaction calculations on boron atom. An analytical method for the evaluation of two-, three- and four-electron integrals and development of the corresponding computer programs. Derivation of the Hamiltonian in Hylleraas coordinates for atoms and molecules. New formulas for integrals with negative powers, orbital rotation and recursion relations. Contribution to the extension of the Hy-CI method to atoms with five or more electrons. |