Electronic Resource
New York, NY
:
Wiley-Blackwell
International Journal of Quantum Chemistry
64 (1997), S. 31-33
ISSN:
0020-7608
Keywords:
Chemistry
;
Theoretical, Physical and Computational Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Chemical reactions - as well as other collision processes - proceed generally from input elements condensing into a transitional complex and then dissociating into new fragments. Viewing the complex formation as reciprocal to its fragmentation combines them into conjugate elements of a single process, namely the complex evolution from a compact to a fragmented form, as its radius of inertia expands. As the wave functions of an atomic electron resolve conveniently into their radial and spherical-harmonic elements, so do those of multiparticle complex resolve into radial and hyperspherical-harmonic parts. Their numerical integration becomes thus accessible without resort to independent-particle or perturbative approximations. This approach displays a complex progressive branching into fragmentation channels. Evidence from small prototypes has shown each branching step to involve only a modest subset of the infinite harmonics set. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 64: 31-33, 1997
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
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