From owner-chemistry@ccl.net Wed Apr 7 12:46:01 2021 From: "David Mazziotti damazz_-_rdmchem.com" To: CCL Subject: CCL: Maple Quantum Chemistry Package 2021 Released! Message-Id: <-54305-210407124132-10772-D89NmQ54vekQ29oizXYEMA{:}server.ccl.net> X-Original-From: "David Mazziotti" Date: Wed, 7 Apr 2021 12:41:30 -0400 Sent to CCL by: "David Mazziotti" [damazz]![rdmchem.com] Dear CCL Community, The team at RDMChem hopes that you are doing well during these challenging times. Today we are excited to announce the launch of the 2021 Edition of the Quantum Chemistry Package for Maple 2021! The Maple Quantum Chemistry Package 2021 provides a powerful, parallel platform for quantum chemistry calculations that directly integrates as an add-on package into the Maple 2021 environment. It is optimized for both research and 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. The 2021 Package has significant new features and enhancements: - Solution of the Anti-Hermitian contracted Schrodinger (ACSE) equation - New command for error mitigating 2-RDMs for quantum computing - Arbitrary MOs and active spaces in MO integrals - Addition of 26 effective core potential (ECP) basis sets - Time-saving keyword for mixed basis sets - More customizable publication-quality plots and animations - Hundreds of Help Pages with examples and tutorials - Even more curricula and lessons for chemistry and physics - Improved interactive Maplet interface - Enhancements throughout the package For more information, please visit us at http://www.rdmchem.com We hope that you will enjoy using QCP 2021 in your research and teaching! Stay safe and well! Best wishes, Team at RDMChem April 7, 2021