Density Functional Theory (DFT) and ab-initio Quantum Chemistry (AIQC). Story of a difficult partnership-Reference-Cited by-同舟云学术

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Density Functional Theory (DFT) and ab-initio Quantum Chemistry (AIQC). Story of a difficult partnership

Published:2006-10-27 Issue: Volume: Page:23-62
ISSN:
Container-title:Trends and Perspectives in Modern Computational Science
language:
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Author:

Kutzelnigg Werner

Publisher

CRC Press

Link

http://www.crcnetbase.com/doi/pdf/10.1201/b12251-4

Reference63 articles.

1. Inhomogeneous Electron Gas

2. Self-Consistent Equations Including Exchange and Correlation Effects

3. P. A. M. Dirac, Proc. Cambr. Phil. Soc. 26, 376 {1930): 27, 240 (1931)

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1. Measuring Electron Correlation: The Impact of Symmetry and Orbital Transformations;Journal of Chemical Theory and Computation;2023-04-06

2. Theoretical prediction of thermal and electronic properties of metal-organic frameworks;Journal of Industrial and Engineering Chemistry;2019-12

3. Ab initio dynamic correlation effects in density functional theories: a density based study for argon;Theoretical Chemistry Accounts;2009-10-04

4. Molecular Dynamics Simulation Methods including Quantum Effects;Challenges and Advances in Computational Chemistry and Physics;2008

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