Quantum Chemistry: Large Molecules - Small Computers

Berichte der Bunsengesellschaft/Physical Chemistry Chemical Physics

Volumn 102, Issue 6, 1998, Pages 795-804

  Afalrichs, Reinhart ^a   Elliott, D ^a   Huniar, Uwe ^a  

^a UNIVERSITY OF KARLSRUHE   (Germany)

Author keywords

Methods and systems; Molecular structure i quantum mechanics; Scientific computing

Indexed keywords

EID: 0000388741     PISSN: 0940483X     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (30)

1. This is not a review and is not intended to provide a survey of the literature. Given the pace of development there are hardly any up to date textbooks. A useful account of current activity is given by W. Klopper, W. Thiel, H.-J. Werner, and G. Jansen, in: Theoretische Chemie 1997, Nachr. Chem. Tech. Lab. 46, 196 (1998).
2. A. Szabo and N. S. Osilund, Modem Quantum Chemistry: Introduction to Advanced Electronic Structure Theory, Macmiîlan Publishing Co., Inc., New York, 1982.
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23. To obtain more information about TURBOMOLE please refer to http://www.chemie.uni-karlsruhe.de/PC/TheoChem/ and ftp:// ftp.chemie.uni-karlsruhe.de/pub/
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