MOLCAS Workshop

MOLCAS is a quantum chemistry package for first-principle structure calculations on atomic and molecular systems. The philosophy behind MOLCAS is to provide the user methods covering from very accurate ab initio treatments of general electronic structure problems in small molecules in both ground and excited states (with emphasis on multiconfigurational approaches), to more versatile procedures (density-functional theory for instance) applied to systems of large size.

The workshop is addressed to users and potential users of the MOLCAS suite, and it is not intended as a course on electronic structure theory but a practical approach to the use of the MOLCAS program. Some knowledge on quantum chemical methods is desirable, but no previous experience with MOLCAS is required. The workshop will consist of 25%  lectures and 75%  practical sessions. Researchers interested in using MOLCAS as a platform to implement their own software are also welcome.

Lecture Notes