Quantum Theory Project

Ohrn Y 2000 The Quantum Theory Project at the University of Florida webpage http //www.atp.ufl.edu/ ohrn/... 

University of Florida, Quantum Theory Project, Departments of Chemistry and Physics, Gainesville, FL... 

J. F. Stanton et al., ACES II, Quantum Theory Project, University of Florida, Gainesville, FL 32611-8435, 2001, integral packages included are VMOL, J. Almlof and P. Taylor VPROPS (P. R. Taylor) A modified version of ABACUS (T. U, Helgaker, H, J. Aa, Jensen, J. Olsen, and P, J0rgensen. 

ZINDO/1 IS based on a modified version of the in termediate neglect of differen tial overlap (IXDO), which was developed by Michael Zerner of the Quantum Theory Project at the University of Florida. Zerner s original INDO/1 used the Slater orbital exponents with a distance dependence for the first row transition metals only. Ilow ever. in HyperChein constant orbital expon en ts are used for all the available elein en ts, as recommended by Anderson. Friwards, and Zerner. Inorg. Chem. 2H, 2728-2732.iyH6. 

ZINDO/S is an modified INDO method parameterized to reproduce UV visible spectroscopic transitions when used with the Cl singles methods. It was developed in the research group of Michael Zerner of the Quantum Theory Project at the University of Florida. As with the other semi-empirical methods, HyperChem s implementation of ZINDO/S is restricted to spin multiplicities of up to a quartet state. Higher spin systems may not be done using HyperChem. 

Per-Olov Lowdin established both the Quantum Chemistry Group at Uppsala and the Quantum Theory Project at Gainesville through his personal and scientific stature and he was unquestionably the Director of both operations. Several prominent scientists were invited during the first years to be Associate Directors and to maintain the spirit when "the Force" was absent. Yngve Ohrn was invited to join the faculty at Florida as Associate Professor in 1966 and he chose to become a member of the Quantum Theory Project. He assumed the Associate Directorship of the Quantum Theory Project in 1967 and proved quickly to have the qualities that allowed him to deal effectively with the university administration at all levels as well as with issues within the rather diverse and extensive body of scientists and students of the Project. Fairness, compassion, and persistence are words that come to my mind when I characterize Yngve s leadership. 

The successful chairmanship and the apparent qualities of personnel management landed several offers of deanships in Yngve s lap. He decided, to my delight, to remain a dedicated scientist. Administrative obligations remained, he assumed the role of Director of the Quantum Theory Project in 1983 and led this rather informal association of faculty members from Chemistry and Physics to be established, in 1987, as the "Institute for Theory and Computation in Molecular and Materials Sciences" with a well defined position in the University system. This was another demonstration of the ability to create coherence and commitment amongst a body of strong minded people with diverse interests. It is a consequence that Florida remains a world renowned hub of quantum chemistry activities. 

Erik Deumens Quantum Theory Project University of Florida Gainesville, Florida 32611-8435... 

Jean-Marie Andr6 (95), Laboratoire de Chimie Thdorique Appliqude, Facultds Universitaires Notre-Dame de la Paix, B-5000 Namur, Belgium Rodney J. Bartlett (149), Quantum Theory Project, University of Florida, Gainesville, Florida 32611... 

Erik Deumens (21), Quantum Theory Project, University of Florida, Gainesville, Florida 32611... 

Department of Chemistry and the Quantum Theory Project, University of Florida, 2328 New Physics Building, P.O. Box 118435, Gainesville, FL 32611-8435, USA, e-mail merz qtp-ufl.edu 2Simulations Plus, Inc. 42505 10th Street West, Lancaster, CA 93534, USA... 

Lowdin, P.-O., see for example Research Report No. 40 of Quantum Theory Project,... 

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