Cited References : 17            Times: 28

Abstract:
        On statistical-mechanical grounds, a stochastic optimization technique (generalized simulated annealing) has been recently proposed which contains both classical simulated annealing (Kirkpatrick et al., 1983) and fast simulated annealing (Szu, 1986) as particular cases. This technique can be faster than both in detecting global (and also local) minima. Its utility in quantum chemistry is here illustrated, through the use of a semiempirical quantum method, on molecules of the series CH3-R (C2H6, CH3COH, CH3OH), H(2)X(2) (H2O2, H2S2), X(2)Y(4) (N2H4, P2H4, N2F4), for double bonds (C2H4 and CH2NH), and finally for H2O3. (C) 1996 John Wiley & Sons, Inc.

Addresses:
Mundim KC, UNIV FED BAHIA, INST FIS, BR-40210340 SALVADOR, BA, BRAZIL.
CTR BRASILEIRO PESQUISAS FIS, BR-22290180 RIO JANEIRO, BRAZIL.
CORNELL UNIV, BAKER LAB, DEPT CHEM, ITHACA, NY 14853.

Publisher:  JOHN WILEY & SONS INC, NEW YORK
IDS Number:  UF770
ISSN:0020-7608