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Comparative Study of Three Methods of Calculating Atomic Charge in a Molecule

Comparative Study of Three Methods of Calculating Atomic Charge in a Molecule. Wanda Lew Heather Harding Sharam Emami Shungo Miyabe San Francisco State University Tomekia Simeon Jackson State University Source of Wisdom: Sergio Aragon January 16, 2004.

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765 views • 63 slides

Density Functional Theory And Time Dependent Density Functional Theory

Density Functional Theory And Time Dependent Density Functional Theory. (DFT & TDFT). PRESENTED TO: DR.IRFAN. PRESENTED BY: MALEEHA QASIM MUHAMMAD ZAIN AKRAM. Background:. 1920s : Introduction of the Thomas-Fermi model. 1964 : Hohenberg-Kohn paper proving existence of exact DF.

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404 views • 36 slides

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Comparative Study of Three Methods of Calculating Atomic Charge in a Molecule

Density Functional Theory And Time Dependent Density Functional Theory