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Quantum Chemistry Package 2023 for Maple Release ... (No replies)
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Dear Psi-k Community,
The team @ RDMChem hopes that you are doing well.
Today we are excited to announce the launch of the 2023 Edition of the Quantum Chemistry Package for Maple 2023!
The Maple Quantum Chemistry Package 2023 provides a powerful, parallel platform for quantum chemistry calculations that directly integrates as an add-on package into the Maple 2023 environment. It is optimized for both research as well as education. The Add-on Package (also known as Toolbox) includes density functional theory and wave function methods as well as advanced two-electron reduced density matrix (2-RDM) theories. It is available on Windows, MacOS, and Linux. Highlights of the Add-on Package include:
Maple 2023 is a leading scientific environment for mathematics, engineering, and science—and now chemistry. Students can purchase the Quantum Chemistry Toolbox 2023 Student Edition for less than a paperback textbook.
The 2023 Package has significant new features and enhancements:
With the Package, you can use the following electronic structure methods for molecular electronic states:
The RDM techniques, which are unique to the Package, are well-suited for strongly correlated molecules where they can accurately describe quantum effects that are difficult to treat by conventional methods.
Molecules and their properties can be readily visualized directly with built-in plots and data including:
The Package can be used from the following Maple interfaces:
The worksheet, document, and Jupyter-notebook interfaces allow users to perform computations in a notebook environment with a mixture of computations, headers and text, plots, animations, and pictures. The command-line interface provides a powerful scripting environment for the most demanding computations on a workstation or cluster. Plus there is a Maple applet (Maplet) interface for rapid definition, computation, and analysis of molecules and their properties
Lessons and curricula in chemistry and physics are directly integrated into the QuantumChemistry package. Complete computational curricula are built-in for chemistry and physics courses:
The lessons and curricula, which can be directly imported as worksheets from the help pages of the package, employ advanced features of the package to facilitate the learning and understanding of both introductory and advanced concepts in chemistry and physics. They can be used in course lectures, labs, or homework assignments.
For more information, please visit us at
https://www.rdmchem.com
We hope that you will enjoy using QCP 2023 in your research and teaching!
Best wishes,
Team @ RDMChem
May 17, 2023