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Business / Math & Scientific Tools / AIMAll (Version 09.11.08) for Windows 11.1
AIMAll (Version 09.11.08) for Windows 11.1
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AIMAll (Version 09.11.08) for Windows 11.1 Description
AIMAll is an easy to use, accurate, reliable and efficient quantum chemistry software package for performing comprehensive, quantitative and visual QTAIM analyses of molecular systems - starting from molecular wave function data.
AIMAll is an easy to use, accurate, reliable and efficient quantum chemistry software package for performing comprehensive, quantitative and visual QTAIM analyses of molecular systems - starting from molecular wave function data. Calculation Features: - Easy-to-use GUI and command-line interfaces for setting up and running partial or complete AIM analysis. - Reliable, robust, accurate and relatively fast and efficient calculations. - Support for traditional AIM wave function files (.wfn), extended AIM wave function files (.wfx) and Gaussian (g03 or g09) formatted checkpoint files as input. - Unlimited wave function size, i.e., unlimited number of atoms, MOs and basis functions. - Correctly handle a variety of wave function types: Restricted HF/KSDFT, Restricted Open-Shell HF/KSDFT, Unrestricted HF/KSDFT, Restricted MP2/CCSD/etc., Unrestricted MP2/CCSD/etc., CASSCF, CIS, Magnetically (GIAO/CSGT) Perturbed HF/KSDFT, etc. - Automatic conversion of Gaussian formatted checkpoint files to extended or traditional AIM wave function files. - Automatic validation of sometimes-problematic traditional AIM wave functions.
OS: Windows