A new grid-free density-functional technique: Application to the torsional energy surfaces of ethane, hydrazine, and hydrogen peroxide
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.473734
Reference62 articles.
1. Density‐functional thermochemistry. I. The effect of the exchange‐only gradient correction
2. Basis‐set‐free local density‐functional calculations of geometries of polyatomic molecules
3. Electron correlation and density-functional methods
4. On the different representations of the hole‐correlation functions in the Hartree–Fock and the Hartree–Fock–Slater methods and their influence on bond energy calculations
5. Geometry optimization using local density functional methods
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