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RESEARCH GROUP OF PROF. D. HAASE |
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Institute of Chemistry / Physical and Theoretical
Chemistry
Freie Universität Berlin
Takustr. 3
Room: 24.12
phone +49-30-838-56265 E-Mail: dhaase@chemie.fu-berlin.de |
FURTHER INFORMATION |
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KEYWORDSAlgebra, Quantum Chemistry, Number theory. Applications: molecular tensor properties, additivity rules of chemistry, natural molecular coordinates, cluster properties. |
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ABSTRACTScalar, vector and higher order molecular tensor properties are treated by algebraic methods in terms of the molecular structure. Additivity rules of chemistry are extended to higher order parameter approaches as fitting procedures. "Natural" molecular coordinates are introduced in terms of overcomplete and almost-orthonormal vector systems for the symmetry-adapted description of molecular tensors. Relations between cluster properties in terms of the number of constituting atoms and number theory are studied with the aid of physical models and special mathematical functions. |
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| www@chemie.fu-berlin.de | Last modification: 2003-07-29 |