Fully Numerical All-Electron Solutions of the Optimized Effective Potential Equation for Diatomic Molecules-Reference-Cited by-同舟云学术

Fully Numerical All-Electron Solutions of the Optimized Effective Potential Equation for Diatomic Molecules

Published:2009-06-11 Issue:7 Volume:5 Page:1731-1740
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Makmal Adi¹,Kümmel Stephan¹,Kronik Leeor¹

Affiliation:

1. Department of Materials and Interfaces, Weizmann Institute of Science, Rehovoth 76100, Israel, and Physikalisches Institut, Universität Bayreuth, D-95440 Bayreuth, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct800485v

Reference66 articles.

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2. Self-Consistent Equations Including Exchange and Correlation Effects

3. Density Functional Theory

4. A local exchange-correlation potential for the spin polarized case. i

5. Orbital-dependent density functionals: Theory and applications

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