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2MOLCAS as a development platform for quantum chemistry software

Published:2004 Issue:4 Volume:100 Page:626-635
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Veryazov Valera,Widmark Per-Olof,Serrano-Andrés Luis,Lindh Roland,Roos Björn O.

Funder

Swedish Science Research council

Swedish Foundation for Strategic Research

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference46 articles.

1. New Developments in Molecular Orbital Theory

2. Superposition of Configurations: The Helium Atom

3. Many‐Electron Theory of Atoms and Molecules. I. Shells, Electron Pairs vs Many‐Electron Correlations

4. Many‐Electron Theory of Atoms and Molecules. II

5. Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

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