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Maple Quantum Chemistry Toolbox Released (No replies)

markpsik
8 months ago
markpsik 8 months ago

Dear Psi-k Community,

          We are writing to announce the release of the new Maple Quantum Chemistry Toolbox!  The Toolbox transforms the Maple 2019 computer algebra system with its unparalleled symbolic, numeric, and visualization capabilities into an easy-to-use, scientific environment for electronic structure computations and analysis.  Four interfaces to the package include the Maple worksheet or document, the Maple command-line, and an interactive Applet.  The package includes Hartree-Fock methods as well as density functional theory, correlated wave function methods, and state-of-the-art two-electron reduced density matrix methods.  With built-in lessons and curricula for undergraduate chemistry and physics courses, the package is ideal not only for researchers but also educators and students.  Further details are available at the Maplesoft web site:      

https://www.maplesoft.com/products/toolboxes/quantumchemistry/

Best wishes,

The RDMChem Team




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Ab initio (from electronic structure) calculation of complex processes in materials