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Department of Theoretical Chemistry - Lund University

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Department of Theoretical Chemistry - Lund University | teokem.lu.se Reviews
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Homepage of Department of Theoretical Chemistry
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Department of Theoretical Chemistry - Lund University | teokem.lu.se Reviews

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Homepage of Department of Theoretical Chemistry

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MOLCAS

Molcas is an ab initio quantum chemistry software package developed by scientists to be used by scientists. The basic philosophy is is to be able to treat general electronic structures for molecules consisting of atoms from most of the periodic table. As such, the primary focus of the package is on multiconfigurational methods with applications typically connected to the treatment of highly degenerate states. Key aspects of Molcas:. SCF/DFT, CASSCF/RASSCF, CASPT2/RASPT2. Fast, accurate, and robust code.

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Organizing Molecular Matter | People

http://www.omm.lu.se/people

Faculty of Engineering, LTH. Denna sida på svenska. This page in English. This page in English. A central aspect of the research effort is the integration of theoretical and experimental studies. These competences are represented by the participating senior scientists, listed below. These scientists, who have a past record of working together, are members of the divisions of Physical Chemistry. Architecture and Built Environment. Building and Environmental Technology. Centre for Mathematical Sciences.

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Welcome to the Division of. November, 4.th 14.15-15.00. Posted May 9.nd, 2014. At the department of Theoretical Chemistry we study both statistical thermodynamics and quantum chemistry. While we have a strong focus on fundamental research and model development, our methods have been applied on a diverse range of systems such as clay, cement, sea water, dental environments, wood fibers and dairy products!

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