Download Molcas Manual PDF Free - Full Version
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About Molcas Manual
This document is the user manual for version 8.0 of Molcas, a quantum chemistry software package. It provides an overview of Molcas and its capabilities, including new features in version 8.0. It also contains tutorials for using Molcas to perform electronic structure calculations like computing energies, optimizing geometries, and calculating excited states using different methods like SCF, DFT, CI, MRCI and more. The manual describes the Molcas environment and commands as well as individual programs for tasks like integral generation, MCSCF, perturbation theory, coupled cluster and more.
Detailed Information
| Author: | ['Madushanka Sugath'] |
|---|---|
| Publication Year: | 2016 |
| Pages: | 567 |
| Language: | English |
| Format: | |
| Price: | FREE |
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