Blending Determinism with Evolutionary Computing: Applications to the Calculation of the Molecular Electronic Structure of Polythiophene

Author:

Sarkar Kanchan1,Sharma Rahul1,Bhattacharyya S. P.1

Affiliation:

1. Department of Physical Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Kolkata-700032, India

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Reference21 articles.

1. Dykstra, C. E.InTheory and Applications of Computational Chemistry: The First Forty Years;Dykstra, C. E., Frenking, G., Kim, K. S., Scuseria, G. E., Eds.Elsevier:New York, 2005; pp1011−1045.

2. Schlegel, H. B.InAb Initio Methods in Quantum Chemistry;Lawley, K. P., Ed.; Advances in Chemical Physics, Vol. LXV11;John Wiley & Sons Ltd.:Chichester, U.K., 1987; pp1−566

3. Cramer, C. J.Essentials of Computational Chemistry Theories and Models,2nd ed.John Wiley & Sons Ltd.:Chichester, U.K., 2004; pp487−516

4. Synthesis and properties of chemically coupled poly(thiophene)

5. Direct observation of charge-inducedπ-electronic structural changes in a conjugated polymer

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