Mathematical thoughts in DFT-Reference-Cited by-同舟云学术

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Mathematical thoughts in DFT

Published:2016-03-29 Issue:11 Volume:116 Page:802-804
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Levy Mel¹²³

Affiliation:

1. Department of Chemistry; Duke University; Durham North Carolina

2. Department of Physics; North Carolina a & T State University; Greensboro North Carolina

3. Department of Chemistry and Quantum Theory Group; Tulane University; New Orleans Louisiana USA

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference16 articles.

1. Hellmann-Feynman, virial, and scaling requisites for the exact universal density functionals. Shape of the correlation potential and diamagnetic susceptibility for atoms

2. Density-functional exchange correlation through coordinate scaling in adiabatic connection and correlation hole

3. Expectation values in density-functional theory, and kinetic contribution to the exchange-correlation energy

4. Correlation-energy functional and its high-density limit obtained from a coupling-constant perturbation expansion

5. Exchange-correlation energy of a metallic surface: Wave-vector analysis

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1. Semilocal Meta-GGA Exchange–Correlation Approximation from Adiabatic Connection Formalism: Extent and Limitations;The Journal of Physical Chemistry A;2023-10-09

2. Nonlocal exchange and correlation energy functionals using the Yukawa potential as ingredient: Application to the linear response of the uniform electron gas;Physical Review B;2021-10-07

3. Quasi-dimensional models applied to kinetic and exchange energy density functionals;The European Physical Journal B;2021-07

4. Improving the applicability of the Pauli kinetic energy density based semilocal functional for solids;New Journal of Physics;2021-06-01

5. Generalizing Double-Hybrid Density Functionals: Impact of Higher-Order Perturbation Terms;Journal of Chemical Theory and Computation;2020-11-18

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